(2R)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: (2R)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: (2R)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxo-4-phenyl-butanoate CAS Name: (2R)-2-[1-(2-cyanoethyl)-3-indolyl]-4-oxo-4-phenylbutanoate IUPAC Name: (2R)-2-[1-(2-cyanoethyl)indol-3-yl]-4-oxo-4-phenylbutanoate Traditional Name: (2R)-2-[1-(2-cyanoethyl)indol-3-yl]-4-keto-4-phenyl-butyrate Formula: C21H17N2O3- MolecularWeight: 345.37128

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CC(C2=CN(C3=CC=CC=C32)CCC#N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[C@H](C2=CN(C3=CC=CC=C32)CCC#N)C(=O)[O-]

InChI

InChI=1S/C21H18N2O3/c22-11-6-12-23-14-18(16-9-4-5-10-19(16)23)17(21(25)26)13-20(24)15-7-2-1-3-8-15/h1-5,7-10,14,17H,6,12-13H2,(H,25,26)/p-1/t17-/m1/s1