2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: 2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoic acid Openeye Name: 2-(1-methylindol-3-yl)-4-oxo-4-(p-tolyl)butanoic acid CAS Name: 2-(1-methyl-3-indolyl)-4-(4-methylphenyl)-4-oxobutanoic acid IUPAC Name: 2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoic acid Traditional Name: 4-keto-2-(1-methylindol-3-yl)-4-(p-tolyl)butyric acid Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)C)C(=O)O

InChI

InChI=1S/C20H19NO3/c1-13-7-9-14(10-8-13)19(22)11-16(20(23)24)17-12-21(2)18-6-4-3-5-15(17)18/h3-10,12,16H,11H2,1-2H3,(H,23,24)