ethyl 1-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxidanylidene-isoquinolin-4-yl]carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-isoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxo-4-isoquinolinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-ethoxyphenyl)-6,7-dimethoxy-1-oxoisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-(1-keto-6,7-dimethoxy-2-p-phenetyl-isoquinoline-4-carbonyl)isonipecotic acid ethyl ester Formula: C28H32N2O7 MolecularWeight: 508.56288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCC(CC4)C(=O)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C=C(C3=CC(=C(C=C3C2=O)OC)OC)C(=O)N4CCC(CC4)C(=O)OCC

InChI

InChI=1S/C28H32N2O7/c1-5-36-20-9-7-19(8-10-20)30-17-23(21-15-24(34-3)25(35-4)16-22(21)27(30)32)26(31)29-13-11-18(12-14-29)28(33)37-6-2/h7-10,15-18H,5-6,11-14H2,1-4H3