[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c22-13-12-19(25)24-18-10-8-17(9-11-18)21(27)28-15-20(26)23-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12,14-15H2,(H,23,26)(H,24,25)