[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-cyanobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-cyanobenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=CC=C(C=C1)C#N)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O3/c1-3-17(18-7-5-4-6-8-18)14-23-20(24)15(2)26-21(25)19-11-9-16(13-22)10-12-19/h4-12,15,17H,3,14H2,1-2H3,(H,23,24)/t15-,17+/m0/s1