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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] (E)-3-(4-isopropylphenyl)prop-2-enoate CAS Name: (E)-3-(4-propan-2-ylphenyl)-2-propenoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-p-cumenylacrylic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H22N2O3 MolecularWeight: 362.42168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C/C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O3/c1-17(2)19-11-8-18(9-12-19)10-13-22(26)27-16-21(25)24(15-14-23)20-6-4-3-5-7-20/h3-13,17H,15-16H2,1-2H3/b13-10+