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

Systemtic Name: methyl 1-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(4-benzyl-1-piperidyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-[4-(phenylmethyl)-1-piperidinyl]-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-benzylpiperidin-1-yl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(4-benzylpiperidino)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C32H34N2O6 MolecularWeight: 542.62216

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)N4CCC(CC4)CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C32H34N2O6/c1-37-26-19-23(20-27(38-2)30(26)39-3)28-24-12-8-9-13-25(24)31(35)34(29(28)32(36)40-4)33-16-14-22(15-17-33)18-21-10-6-5-7-11-21/h5-13,19-20,22H,14-18H2,1-4H3