[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 6-methanoyl-2,3-dimethoxy-benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 6-formyl-2,3-dimethoxy-benzoate CAS Name: 6-formyl-2,3-dimethoxybenzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 6-formyl-2,3-dimethoxybenzoate Traditional Name: 6-formyl-2,3-dimethoxy-benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C=O)C(=O)OCC(=O)NC2(CCCC2)C#N)OC

InChI

InChI=1S/C18H20N2O6/c1-24-13-6-5-12(9-21)15(16(13)25-2)17(23)26-10-14(22)20-18(11-19)7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,20,22)