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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-24(21(15-23)10-4-3-5-11-21)19(25)14-28-20(26)17(13-22)12-16-6-8-18(27-2)9-7-16/h6-9,12H,3-5,10-11,14H2,1-2H3/b17-12+