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

Systemtic Name: [2-(2-methyl-1H-indol-3-yl)-2-oxidanylidene-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate Openeye Name: [2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl] (2S)-2-(4-chlorophenyl)-3-methyl-butanoate CAS Name: (2S)-2-(4-chlorophenyl)-3-methylbutanoic acid [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate Traditional Name: (2S)-2-(4-chlorophenyl)-3-methyl-butyric acid [2-keto-2-(2-methyl-1H-indol-3-yl)ethyl] ester Formula: C22H22ClNO3 MolecularWeight: 383.86798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)C(C3=CC=C(C=C3)Cl)C(C)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)COC(=O)[C@H](C3=CC=C(C=C3)Cl)C(C)C

InChI

InChI=1S/C22H22ClNO3/c1-13(2)20(15-8-10-16(23)11-9-15)22(26)27-12-19(25)21-14(3)24-18-7-5-4-6-17(18)21/h4-11,13,20,24H,12H2,1-3H3/t20-/m0/s1