1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-isobutyl-3-(2-methylpropanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-(2-methyl-1-oxopropyl)-2-(2-methylpropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(2-methylpropanoyl)-2-(2-methylpropyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-isobutyl-3-isobutyryl-indole-6-carboxylic acid Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

Isomeric SMILES

CC(C)CC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)C(C)C

InChI

InChI=1S/C24H26ClNO3/c1-14(2)11-21-22(23(27)15(3)4)18-10-9-16(24(28)29)12-20(18)26(21)13-17-7-5-6-8-19(17)25/h5-10,12,14-15H,11,13H2,1-4H3,(H,28,29)