ethyl 1-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxidanylidene-3,4-dihydroisoquinolin-4-yl]carbonyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-4-yl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3,4-dimethoxyphenyl)-1-keto-6,7-dimethoxy-2-methyl-3,4-dihydroisoquinoline-4-carbonyl]isonipecotic acid ethyl ester Formula: C29H36N2O8 MolecularWeight: 540.60474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2C(N(C(=O)C3=CC(=C(C=C23)OC)OC)C)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C29H36N2O8/c1-7-39-29(34)17-10-12-31(13-11-17)28(33)25-19-15-23(37-5)24(38-6)16-20(19)27(32)30(2)26(25)18-8-9-21(35-3)22(14-18)36-4/h8-9,14-17,25-26H,7,10-13H2,1-6H3