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

Systemtic Name: [2-[ethyl-(phenylmethyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Openeye Name: [2-[benzyl(ethyl)amino]-2-oxo-ethyl] (E)-2-cyano-3-(p-tolyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methylphenyl)-2-propenoic acid [2-[ethyl-(phenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[benzyl(ethyl)amino]-2-oxoethyl] (E)-2-cyano-3-(4-methylphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(p-tolyl)acrylic acid [2-[benzyl(ethyl)amino]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)COC(=O)C(=CC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)COC(=O)/C(=C/C2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C22H22N2O3/c1-3-24(15-19-7-5-4-6-8-19)21(25)16-27-22(26)20(14-23)13-18-11-9-17(2)10-12-18/h4-13H,3,15-16H2,1-2H3/b20-13+