[2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)-methyl-amino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-[(1-cyanocyclohexyl)-methyl-amino]-2-keto-ethyl] ester Formula: C20H26N2O6 MolecularWeight: 390.43024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6/c1-22(20(13-21)10-6-5-7-11-20)16(23)12-28-19(24)14-8-9-15(25-2)18(27-4)17(14)26-3/h8-9H,5-7,10-12H2,1-4H3