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

Systemtic Name: ethyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]-3-oxidanylidene-butanoate Openeye Name: ethyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]-3-oxo-butanoate CAS Name: (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]-3-oxobutanoate Traditional Name: (2S)-2-[(S)-1H-indol-3-yl(phenyl)methyl]-3-keto-butyric acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C2=CNC3=CC=CC=C32)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO3/c1-3-25-21(24)19(14(2)23)20(15-9-5-4-6-10-15)17-13-22-18-12-8-7-11-16(17)18/h4-13,19-20,22H,3H2,1-2H3/t19-,20+/m1/s1