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

Systemtic Name: dimethyl 5-[2-[(1-cyanocycloheptyl)amino]-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-[(1-cyanocycloheptyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-[(1-cyanocycloheptyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-[(1-cyanocycloheptyl)amino]-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-[(1-cyanocycloheptyl)amino]-2-keto-ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H24N2O6 MolecularWeight: 388.41436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)OCC(=O)NC2(CCCCCC2)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)OCC(=O)NC2(CCCCCC2)C#N)C(=O)OC

InChI

InChI=1S/C20H24N2O6/c1-26-18(24)14-9-15(19(25)27-2)11-16(10-14)28-12-17(23)22-20(13-21)7-5-3-4-6-8-20/h9-11H,3-8,12H2,1-2H3,(H,22,23)