3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidyl]methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2,4-dimethoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-(2,4-dimethoxybenzyl)-4-piperidyl]methanone; oxalic acid Formula: C26H32N2O7 MolecularWeight: 484.54148

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC(=C(C=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H30N2O3.C2H2O4/c1-28-22-8-7-21(23(15-22)29-2)16-25-12-9-19(10-13-25)24(27)26-14-11-18-5-3-4-6-20(18)17-26;3-1(4)2(5)6/h3-8,15,19H,9-14,16-17H2,1-2H3;(H,3,4)(H,5,6)