[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-[[(1S)-1-methylbutyl]amino]-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-keto-2-[[(1S)-1-methylbutyl]amino]ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC(=O)COC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

Isomeric SMILES

CCC[C@H](C)NC(=O)COC(=O)C1=CC=CC=C1C2=CC=CC=C2C#N

InChI

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