[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 2-(2-cyanophenyl)benzoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 2-(2-cyanophenyl)benzoate CAS Name: 2-(2-cyanophenyl)benzoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-(2-cyanophenyl)benzoate Traditional Name: 2-(2-cyanophenyl)benzoic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-3-14(2)23-21(27)24-19(25)13-28-20(26)18-11-7-6-10-17(18)16-9-5-4-8-15(16)12-22/h4-11,14H,3,13H2,1-2H3,(H2,23,24,25,27)/t14-/m0/s1