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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCCCC4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCCCC4)C(=O)OC

InChI

InChI=1S/C25H28N2O6/c1-30-19-14-16(15-20(31-2)23(19)32-3)21-17-10-6-7-11-18(17)24(28)27(22(21)25(29)33-4)26-12-8-5-9-13-26/h6-7,10-11,14-15H,5,8-9,12-13H2,1-4H3