4-[1-[[[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid

CAS Registry Number®

53918-53-9
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CAS Name

4-[1-[[[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid

Molecular Formula

C40H51ClN2O7

Molecular Mass

707.30

Cite this Page

4-[1-[[[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=53918-53-9 (retrieved 2024-08-16) (CAS RN: 53918-53-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H51ClN2O7/c1-10-39(6,7)26-16-21-32(29(23-26)40(8,9)11-2)49-22-12-13-33(44)42-27-17-20-30(41)31(24-27)43-36(46)34(35(45)38(3,4)5)50-28-18-14-25(15-19-28)37(47)48/h14-21,23-24,34H,10-13,22H2,1-9H3,(H,42,44)(H,43,46)(H,47,48)

InChIKey

InChIKey=UHUHWJMSXWDGAT-UHFFFAOYSA-N

SMILES

C(CC)(C)(C)C1=C(OCCCC(NC2=CC(NC(C(OC3=CC=C(C(O)=O)C=C3)C(C(C)(C)C)=O)=O)=C(Cl)C=C2)=O)C=CC(C(CC)(C)C)=C1

Canonical SMILES

O=C(O)C1=CC=C(OC(C(=O)NC2=CC(=CC=C2Cl)NC(=O)CCCOC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)C(=O)C(C)(C)C)C=C1

Other Names for this Substance

  • Benzoic acid, 4-[1-[[[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]-
  • 4-[1-[[[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid