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

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2-(3,4,5-trimethoxyphenyl)ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2-(3,4,5-trimethoxyphenyl)acetate CAS Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate Traditional Name: 2-(3,4,5-trimethoxyphenyl)acetic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H28N2O6 MolecularWeight: 404.45682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O6/c1-23(21(14-22)8-6-5-7-9-21)18(24)13-29-19(25)12-15-10-16(26-2)20(28-4)17(11-15)27-3/h10-11H,5-9,12-13H2,1-4H3