[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenylphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(4-phenylbenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenylphenyl)methyl]amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-phenylbenzoyl)amino]acetate Traditional Name: 2-[(4-phenylbenzoyl)amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H21N3O4 MolecularWeight: 427.45194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NCC(=O)OCC(=O)N(CC#N)C3=CC=CC=C3

InChI

InChI=1S/C25H21N3O4/c26-15-16-28(22-9-5-2-6-10-22)23(29)18-32-24(30)17-27-25(31)21-13-11-20(12-14-21)19-7-3-1-4-8-19/h1-14H,16-18H2,(H,27,31)