[(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-cyanobenzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-cyanobenzoate Openeye Name: [(1S)-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H22N2O3/c1-15(11-12-17-7-4-3-5-8-17)23-20(24)16(2)26-21(25)19-10-6-9-18(13-19)14-22/h3-10,13,15-16H,11-12H2,1-2H3,(H,23,24)/t15-,16+/m1/s1