3-[3-(4-chlorophenyl)carbonyl-1-methyl-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(4-chlorophenyl)carbonyl-1-methyl-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(4-chlorobenzoyl)-1-methyl-6-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(4-chlorophenyl)-oxomethyl]-1-methyl-6-(2-quinolinylmethoxy)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(4-chlorobenzoyl)-1-methyl-6-(quinolin-2-ylmethoxy)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(4-chlorobenzoyl)-1-methyl-6-(2-quinolylmethoxy)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C31H27ClN2O4 MolecularWeight: 527.01008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=C(C2=C(N1C)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C5=CC=C(C=C5)Cl)C(=O)O

Isomeric SMILES

CC(C)(CC1=C(C2=C(N1C)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)C5=CC=C(C=C5)Cl)C(=O)O

InChI

InChI=1S/C31H27ClN2O4/c1-31(2,30(36)37)17-27-28(29(35)20-8-11-21(32)12-9-20)24-15-14-23(16-26(24)34(27)3)38-18-22-13-10-19-6-4-5-7-25(19)33-22/h4-16H,17-18H2,1-3H3,(H,36,37)