1,1-Dimethylethyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

CAS Registry Number®

1628047-90-4
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CAS Name

1,1-Dimethylethyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate

Molecular Formula

C37H43ClN4O3

Molecular Mass

627.22

Cite this Page

1,1-Dimethylethyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1628047-90-4 (retrieved 2024-09-18) (CAS RN: 1628047-90-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C37H43ClN4O3/c1-36(2,3)45-35(43)31-11-10-29(21-33(31)44-30-20-26-13-15-39-34(26)40-23-30)42-18-16-41(17-19-42)24-27-12-14-37(4,5)22-32(27)25-6-8-28(38)9-7-25/h6-11,13,15,20-21,23H,12,14,16-19,22,24H2,1-5H3,(H,39,40)

InChIKey

InChIKey=CUSIUFCMSSAJNP-UHFFFAOYSA-N

SMILES

C(C1=C(CC(C)(C)CC1)C2=CC=C(Cl)C=C2)N3CCN(CC3)C4=CC(OC=5C=C6C(=NC5)NC=C6)=C(C(OC(C)(C)C)=O)C=C4

Canonical SMILES

O=C(OC(C)(C)C)C1=CC=C(C=C1OC=2C=NC=3NC=CC3C2)N4CCN(CC5=C(C=6C=CC(Cl)=CC6)CC(C)(C)CC5)CC4

Other Names for this Substance

  • Benzoic acid, 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-, 1,1-dimethylethyl ester
  • 1,1-Dimethylethyl 4-[4-[[2-(4-chlorophenyl)-4,4-dimethyl-1-cyclohexen-1-yl]methyl]-1-piperazinyl]-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzoate