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

Systemtic Name: 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propyl-indole-6-carboxylic acid Openeye Name: 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propyl-indole-6-carboxylic acid CAS Name: 1-[(2-chlorophenyl)methyl]-3-(3-methyl-1-oxobutyl)-2-propyl-6-indolecarboxylic acid IUPAC Name: 1-[(2-chlorophenyl)methyl]-3-(3-methylbutanoyl)-2-propylindole-6-carboxylic acid Traditional Name: 1-(2-chlorobenzyl)-3-isovaleryl-2-propyl-indole-6-carboxylic acid Formula: C24H26ClNO3 MolecularWeight: 411.92114

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)CC(C)C

Isomeric SMILES

CCCC1=C(C2=C(N1CC3=CC=CC=C3Cl)C=C(C=C2)C(=O)O)C(=O)CC(C)C

InChI

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