2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(quinolin-2-ylmethoxy)indol-3-yl]ethanoic acid

Systemtic Name: 2-[1-(4-chlorophenyl)carbonyl-2-methyl-5-(quinolin-2-ylmethoxy)indol-3-yl]ethanoic acid Openeye Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-(2-quinolylmethoxy)indol-3-yl]acetic acid CAS Name: 2-[1-[(4-chlorophenyl)-oxomethyl]-2-methyl-5-(2-quinolinylmethoxy)-3-indolyl]acetic acid IUPAC Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-(quinolin-2-ylmethoxy)indol-3-yl]acetic acid Traditional Name: 2-[1-(4-chlorobenzoyl)-2-methyl-5-(2-quinolylmethoxy)indol-3-yl]acetic acid Formula: C28H21ClN2O4 MolecularWeight: 484.93034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)C3=CC=C(C=C3)Cl)C=CC(=C2)OCC4=NC5=CC=CC=C5C=C4)CC(=O)O

InChI

InChI=1S/C28H21ClN2O4/c1-17-23(15-27(32)33)24-14-22(35-16-21-11-8-18-4-2-3-5-25(18)30-21)12-13-26(24)31(17)28(34)19-6-9-20(29)10-7-19/h2-14H,15-16H2,1H3,(H,32,33)