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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H19N3O4/c1-15-7-9-16(10-8-15)20(26)22-13-19(25)27-14-18(24)23(12-11-21)17-5-3-2-4-6-17/h2-10H,12-14H2,1H3,(H,22,26)