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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-(2-methylpropyl)indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-2-isobutyl-3-(3-methylbutanoyl)indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-2-(2-methylpropyl)-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-(2-methylpropyl)indole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-2-isobutyl-3-isovaleryl-indole-6-carboxylic acid Formula: C25H28ClNO3 MolecularWeight: 425.94772

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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)CC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClNO3/c1-15(2)11-22-24(23(28)12-16(3)4)19-10-9-17(25(29)30)13-21(19)27(22)14-18-7-5-6-8-20(18)26/h5-10,13,15-16H,11-12,14H2,1-4H3,(H,29,30)