ethyl 1-(6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(6,7-dimethoxy-2-methyl-1-oxidanylidene-isoquinolin-4-yl)carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-(6,7-dimethoxy-2-methyl-1-oxo-isoquinoline-4-carbonyl)piperidine-3-carboxylate CAS Name: 1-[(6,7-dimethoxy-2-methyl-1-oxo-4-isoquinolinyl)-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(6,7-dimethoxy-2-methyl-1-oxoisoquinoline-4-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(1-keto-6,7-dimethoxy-2-methyl-isoquinoline-4-carbonyl)nipecotic acid ethyl ester Formula: C21H26N2O6 MolecularWeight: 402.44094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=CN(C(=O)C3=CC(=C(C=C32)OC)OC)C

InChI

InChI=1S/C21H26N2O6/c1-5-29-21(26)13-7-6-8-23(11-13)20(25)16-12-22(2)19(24)15-10-18(28-4)17(27-3)9-14(15)16/h9-10,12-13H,5-8,11H2,1-4H3