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

Systemtic Name: [1-[(1-cyanocyclohexyl)amino]-1-oxidanylidene-propan-2-yl] 3,4-dimethoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-1-methyl-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-1-methyl-ethyl] ester Formula: C19H24N2O5 MolecularWeight: 360.40426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O5/c1-13(17(22)21-19(12-20)9-5-4-6-10-19)26-18(23)14-7-8-15(24-2)16(11-14)25-3/h7-8,11,13H,4-6,9-10H2,1-3H3,(H,21,22)