Molecule ID: 4711697

IUPAC Name: 2-[1-(4-chlorobenzoyl)-5-methoxyindol-3-yl]acetic acid

Description: The molecule is indole-3-acetic acid substituted on nitrogen with a 4-chlorobenzoyl group and at C-5 by a methoxy group. It is a member of indole-3-acetic acids, a N-acylindole and a member of monochlorobenzenes.

SMILES: COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)c1ccc(Cl)cc1

SELFIES: [C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][=C][N][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]

InChI: InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22)

Molecular Properties:
- Polar Surface Area: 68.5 Ų
- LogP: 3.9