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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-ethanoyl-3-(2-methylpropyl)indole-6-carboxylic acid Openeye Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-isobutyl-indole-6-carboxylic acid CAS Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(2-methylpropyl)-6-indolecarboxylic acid IUPAC Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(2-methylpropyl)indole-6-carboxylic acid Traditional Name: 2-acetyl-1-(2-chlorobenzyl)-3-isobutyl-indole-6-carboxylic acid Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)C(=O)C

Isomeric SMILES

CC(C)CC1=C(N(C2=C1C=CC(=C2)C(=O)O)CC3=CC=CC=C3Cl)C(=O)C

InChI

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