[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 2,4,5-trimethoxybenzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 2,4,5-trimethoxybenzoate CAS Name: 2,4,5-trimethoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 2,4,5-trimethoxybenzoate Traditional Name: 2,4,5-trimethoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2(CCCC2)C#N)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC(=O)NC2(CCCC2)C#N)OC)OC

InChI

InChI=1S/C18H22N2O6/c1-23-13-9-15(25-3)14(24-2)8-12(13)17(22)26-10-16(21)20-18(11-19)6-4-5-7-18/h8-9H,4-7,10H2,1-3H3,(H,20,21)