(2R)-2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(1-methylindol-3-yl)-4-oxo-4-(p-tolyl)butanoate CAS Name: (2R)-2-(1-methyl-3-indolyl)-4-(4-methylphenyl)-4-oxobutanoate IUPAC Name: (2R)-2-(1-methylindol-3-yl)-4-(4-methylphenyl)-4-oxobutanoate Traditional Name: (2R)-4-keto-2-(1-methylindol-3-yl)-4-(p-tolyl)butyrate Formula: C20H18NO3- MolecularWeight: 320.36182

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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)C[C@H](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)/p-1/t16-/m1/s1