[2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2S)-2-phenylpropyl]amino]ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-[[(2S)-2-phenylpropyl]amino]ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-15(16-5-3-2-4-6-16)13-23-20(26)14-28-21(27)17-7-9-18(10-8-17)24-19(25)11-12-22/h2-10,15H,11,13-14H2,1H3,(H,23,26)(H,24,25)/t15-/m1/s1