[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-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=CC(=CC(=C1)C(=O)OCC(=O)NC2(CCCCC2)C#N)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O5/c1-23-14-8-13(9-15(10-14)24-2)17(22)25-11-16(21)20-18(12-19)6-4-3-5-7-18/h8-10H,3-7,11H2,1-2H3,(H,20,21)