[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C22H22N2O4 MolecularWeight: 378.42108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C22H22N2O4/c1-15(2)19-6-4-5-7-20(19)24-21(25)14-28-22(26)17(13-23)12-16-8-10-18(27-3)11-9-16/h4-12,15H,14H2,1-3H3,(H,24,25)/b17-12+