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

Systemtic Name: ethanedioic acid; 1-[(3-ethoxy-4-methoxy-phenyl)methyl]-4-[1-(phenylmethyl)piperidin-4-yl]piperazine Openeye Name: 1-(1-benzyl-4-piperidyl)-4-[(3-ethoxy-4-methoxy-phenyl)methyl]piperazine; oxalic acid CAS Name: 1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[1-(phenylmethyl)-4-piperidinyl]piperazine; oxalic acid IUPAC Name: 1-(1-benzylpiperidin-4-yl)-4-[(3-ethoxy-4-methoxyphenyl)methyl]piperazine; oxalic acid Traditional Name: 1-(1-benzyl-4-piperidyl)-4-(3-ethoxy-4-methoxy-benzyl)piperazine; oxalic acid Formula: C28H39N3O6 MolecularWeight: 513.62576

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)CN2CCN(CC2)C3CCN(CC3)CC4=CC=CC=C4)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C26H37N3O2.C2H2O4/c1-3-31-26-19-23(9-10-25(26)30-2)21-28-15-17-29(18-16-28)24-11-13-27(14-12-24)20-22-7-5-4-6-8-22;3-1(4)2(5)6/h4-10,19,24H,3,11-18,20-21H2,1-2H3;(H,3,4)(H,5,6)