Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate

CAS Registry Number®

1395347-28-0
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CAS Name

Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate

Molecular Formula

C24H25ClN2O6

Molecular Mass

472.92

Cite this Page

Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1395347-28-0 (retrieved 2024-08-07) (CAS RN: 1395347-28-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H25ClN2O6/c1-24(2,3)33-23(31)27-11-16(15-9-13(25)5-6-18(15)27)21-14-10-20(29)19(28)8-12(14)7-17(26-21)22(30)32-4/h5-6,8-11,17,21,26,28-29H,7H2,1-4H3/t17-,21+/m0/s1

InChIKey

InChIKey=RPJDFROXXPIQAD-LAUBAEHRSA-N

SMILES

C(OC(C)(C)C)(=O)N1C=C(C=2C1=CC=C(Cl)C2)[C@H]3C=4C(C[C@@H](C(OC)=O)N3)=CC(O)=C(O)C4

Canonical SMILES

O=C(OC(C)(C)C)N1C=C(C=2C=C(Cl)C=CC21)C3NC(C(=O)OC)CC4=CC(O)=C(O)C=C43

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-, methyl ester, (1R,3S)-
  • Methyl (1R,3S)-1-[5-chloro-1-[(1,1-dimethylethoxy)carbonyl]-1H-indol-3-yl]-1,2,3,4-tetrahydro-6,7-dihydroxy-3-isoquinolinecarboxylate