[2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate

Systemtic Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethyl] pyridine-4-carboxylate Openeye Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethyl] pyridine-4-carboxylate CAS Name: 4-pyridinecarboxylic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] ester IUPAC Name: [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] pyridine-4-carboxylate Traditional Name: isonicotinic acid [2-(6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethyl] ester Formula: C25H24N2O5 MolecularWeight: 432.46846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C3=CC=NC=C3)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=O)COC(=O)C3=CC=NC=C3)C4=CC=CC=C4)OC

InChI

InChI=1S/C25H24N2O5/c1-30-21-14-19-10-13-27(23(28)16-32-25(29)18-8-11-26-12-9-18)24(17-6-4-3-5-7-17)20(19)15-22(21)31-2/h3-9,11-12,14-15,24H,10,13,16H2,1-2H3