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

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxy-4-phenylmethoxy-phenyl)methyl]piperidin-4-yl]methanone; ethanedioic acid Openeye Name: [1-[(4-benzyloxy-3-methoxy-phenyl)methyl]-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone; oxalic acid CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-piperidinyl]methanone; oxalic acid IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-[1-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperidin-4-yl]methanone; oxalic acid Traditional Name: [1-(4-benzoxy-3-methoxy-benzyl)-4-piperidyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone; oxalic acid Formula: C32H36N2O7 MolecularWeight: 560.63744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCC(CC2)C(=O)N3CCC4=CC=CC=C4C3)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C30H34N2O3.C2H2O4/c1-34-29-19-24(11-12-28(29)35-22-23-7-3-2-4-8-23)20-31-16-13-26(14-17-31)30(33)32-18-15-25-9-5-6-10-27(25)21-32;3-1(4)2(5)6/h2-12,19,26H,13-18,20-22H2,1H3;(H,3,4)(H,5,6)