methyl 2-[(1-methylpiperidin-4-yl)methyl]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-[(1-methylpiperidin-4-yl)methyl]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-[(1-methyl-4-piperidyl)methyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-[(1-methyl-4-piperidinyl)methyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-methylpiperidin-4-yl)methyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-[(1-methyl-4-piperidyl)methyl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H32N2O6 MolecularWeight: 480.55278

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

Isomeric SMILES

CN1CCC(CC1)CN2C(=C(C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)OC

InChI

InChI=1S/C27H32N2O6/c1-28-12-10-17(11-13-28)16-29-24(27(31)35-5)23(19-8-6-7-9-20(19)26(29)30)18-14-21(32-2)25(34-4)22(15-18)33-3/h6-9,14-15,17H,10-13,16H2,1-5H3