dimethyl 5-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[(1-cyanocyclopentyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[(1-cyanocyclopentyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(1-cyanocyclopentyl)amino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-24-16(22)12-7-13(17(23)25-2)9-14(8-12)26-10-15(21)20-18(11-19)5-3-4-6-18/h7-9H,3-6,10H2,1-2H3,(H,20,21)