[2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C21H20N2O3 MolecularWeight: 348.3951

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=CC=C2C

InChI

InChI=1S/C21H20N2O3/c1-15-7-9-17(10-8-15)11-19(12-22)21(25)26-14-20(24)23-13-18-6-4-3-5-16(18)2/h3-11H,13-14H2,1-2H3,(H,23,24)/b19-11+