[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)C=CC1=CC=C(C=C1)OCC=C)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)/C=C/C1=CC=C(C=C1)OCC=C)C2(CCCCC2)C#N

InChI

InChI=1S/C22H26N2O4/c1-3-15-27-19-10-7-18(8-11-19)9-12-21(26)28-16-20(25)24(2)22(17-23)13-5-4-6-14-22/h3,7-12H,1,4-6,13-16H2,2H3/b12-9+