[(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-[(1-cyanocyclohexyl)-methyl-amino]-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-2-propenoic acid [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-p-phenetyl-acrylic acid [(1R)-2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-1-methyl-ethyl] ester Formula: C23H27N3O4 MolecularWeight: 409.47818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)OC(C)C(=O)N(C)C2(CCCCC2)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)N(C)C2(CCCCC2)C#N

InChI

InChI=1S/C23H27N3O4/c1-4-29-20-10-8-18(9-11-20)14-19(15-24)22(28)30-17(2)21(27)26(3)23(16-25)12-6-5-7-13-23/h8-11,14,17H,4-7,12-13H2,1-3H3/b19-14+/t17-/m1/s1