ethanedioic acid; 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine

Systemtic Name: ethanedioic acid; 1-[(4-methoxy-3-phenylmethoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-[(3-benzyloxy-4-methoxy-phenyl)methyl]-4-(1-benzyl-4-piperidyl)piperazine; oxalic acid CAS Name: 1-[(4-methoxy-3-phenylmethoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(4-methoxy-3-phenylmethoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(3-benzoxy-4-methoxy-benzyl)-4-(1-benzyl-4-piperidyl)piperazine; oxalic acid Formula: C33H41N3O6 MolecularWeight: 575.69514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C31H39N3O2.C2H2O4/c1-35-30-13-12-28(22-31(30)36-25-27-10-6-3-7-11-27)24-33-18-20-34(21-19-33)29-14-16-32(17-15-29)23-26-8-4-2-5-9-26;3-1(4)2(5)6/h2-13,22,29H,14-21,23-25H2,1H3;(H,3,4)(H,5,6)