1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylic acid

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethyl-1-oxobutyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(3,3-dimethylbutanoyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-(3,3-dimethylbutanoyl)indole-6-carboxylic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)C1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

Isomeric SMILES

CC(C)(C)CC(=O)C1=CN(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl

InChI

InChI=1S/C22H22ClNO3/c1-22(2,3)11-20(25)17-13-24(12-15-6-4-5-7-18(15)23)19-10-14(21(26)27)8-9-16(17)19/h4-10,13H,11-12H2,1-3H3,(H,26,27)