[2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-[cyclohexyl(phenyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Openeye Name: [2-(N-cyclohexylanilino)-2-oxo-ethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(3-methoxyphenyl)-2-propenoic acid [2-(N-cyclohexylanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-cyclohexylanilino)-2-oxoethyl] (E)-2-cyano-3-(3-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(3-methoxyphenyl)acrylic acid [2-(N-cyclohexylanilino)-2-keto-ethyl] ester Formula: C25H26N2O4 MolecularWeight: 418.48494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C#N)C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C#N)/C(=O)OCC(=O)N(C2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C25H26N2O4/c1-30-23-14-8-9-19(16-23)15-20(17-26)25(29)31-18-24(28)27(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2,4-5,8-11,14-16,22H,3,6-7,12-13,18H2,1H3/b20-15+