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

Systemtic Name: [2-[(2-methylphenyl)methylamino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(o-tolylmethylamino)-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [2-[(2-methylphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylphenyl)methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [2-keto-2-[(2-methylbenzyl)amino]ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OCC(=O)NCC2=CC=CC=C2C

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC(=O)NCC2=CC=CC=C2C

InChI

InChI=1S/C22H22N2O4/c1-3-27-20-10-8-17(9-11-20)12-19(13-23)22(26)28-15-21(25)24-14-18-7-5-4-6-16(18)2/h4-12H,3,14-15H2,1-2H3,(H,24,25)/b19-12+