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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-2-ethanoyl-3-(3-methylbutanoyl)indole-6-carboxylic acid Openeye Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)indole-6-carboxylic acid CAS Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-6-indolecarboxylic acid IUPAC Name: 2-acetyl-1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)indole-6-carboxylic acid Traditional Name: 2-acetyl-1-(2-chlorobenzyl)-3-isovaleryl-indole-6-carboxylic acid Formula: C23H22ClNO4 MolecularWeight: 411.87808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClNO4/c1-13(2)10-20(27)21-17-9-8-15(23(28)29)11-19(17)25(22(21)14(3)26)12-16-6-4-5-7-18(16)24/h4-9,11,13H,10,12H2,1-3H3,(H,28,29)