[1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 2,3,4-trimethoxybenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC(C(=O)NC1(CCCCC1)C#N)OC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

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