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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,4-dimethoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

InChI

InChI=1S/C18H22N2O5/c1-23-14-7-6-13(10-15(14)24-2)17(22)25-11-16(21)20-18(12-19)8-4-3-5-9-18/h6-7,10H,3-5,8-9,11H2,1-2H3,(H,20,21)