[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [2-(3-cyanoanilino)-2-keto-1-methyl-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)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NCC(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H19N3O4/c1-13-6-8-16(9-7-13)20(26)22-12-18(24)27-14(2)19(25)23-17-5-3-4-15(10-17)11-21/h3-10,14H,12H2,1-2H3,(H,22,26)(H,23,25)