[2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-cyanobenzoate Openeye Name: [2-[[(1S)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[[(1S)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3/c1-15(10-11-16-6-3-2-4-7-16)22-19(23)14-25-20(24)18-9-5-8-17(12-18)13-21/h2-9,12,15H,10-11,14H2,1H3,(H,22,23)/t15-/m0/s1