methyl 1-oxidanylidene-2-piperidin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-piperidin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-oxo-2-(4-piperidyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-(4-piperidinyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-piperidin-4-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-(4-piperidyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CCNCC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4CCNCC4)C(=O)OC

InChI

InChI=1S/C25H28N2O6/c1-30-19-13-15(14-20(31-2)23(19)32-3)21-17-7-5-6-8-18(17)24(28)27(22(21)25(29)33-4)16-9-11-26-12-10-16/h5-8,13-14,16,26H,9-12H2,1-4H3