[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 3-(3,4,5-trimethoxyphenyl)propanoate CAS Name: 3-(3,4,5-trimethoxyphenyl)propanoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 3-(3,4,5-trimethoxyphenyl)propanoate Traditional Name: 3-(3,4,5-trimethoxyphenyl)propionic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C22H30N2O6 MolecularWeight: 418.4834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)COC(=O)CCC1=CC(=C(C(=C1)OC)OC)OC)C2(CCCCC2)C#N

Isomeric SMILES

CN(C(=O)COC(=O)CCC1=CC(=C(C(=C1)OC)OC)OC)C2(CCCCC2)C#N

InChI

InChI=1S/C22H30N2O6/c1-24(22(15-23)10-6-5-7-11-22)19(25)14-30-20(26)9-8-16-12-17(27-2)21(29-4)18(13-16)28-3/h12-13H,5-11,14H2,1-4H3