[2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2R)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxoethyl] (2R)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2R)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-(1H-indol-3-yl)-2-keto-ethyl] ester Formula: C21H20ClNO3 MolecularWeight: 369.8414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)OCC(=O)C2=CNC3=CC=CC=C32

InChI

InChI=1S/C21H20ClNO3/c1-13(2)20(14-7-9-15(22)10-8-14)21(25)26-12-19(24)17-11-23-18-6-4-3-5-16(17)18/h3-11,13,20,23H,12H2,1-2H3/t20-/m1/s1