bis(4-methoxyphenyl)-[1-(phenylmethyl)piperidin-4-yl]methanol; ethanedioic acid; hydrate

Systemtic Name: bis(4-methoxyphenyl)-[1-(phenylmethyl)piperidin-4-yl]methanol; ethanedioic acid; hydrate Openeye Name: (1-benzyl-4-piperidyl)-bis(4-methoxyphenyl)methanol; oxalic acid; hydrate CAS Name: bis(4-methoxyphenyl)-[1-(phenylmethyl)-4-piperidinyl]methanol; oxalic acid; hydrate IUPAC Name: (1-benzylpiperidin-4-yl)-bis(4-methoxyphenyl)methanol; oxalic acid; hydrate Traditional Name: (1-benzyl-4-piperidyl)-bis(4-methoxyphenyl)methanol; oxalic acid; hydrate Formula: C29H35NO8 MolecularWeight: 525.5901

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2CCN(CC2)CC3=CC=CC=C3)(C4=CC=C(C=C4)OC)O.C(=O)(C(=O)O)O.O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2CCN(CC2)CC3=CC=CC=C3)(C4=CC=C(C=C4)OC)O.C(=O)(C(=O)O)O.O

InChI

InChI=1S/C27H31NO3.C2H2O4.H2O/c1-30-25-12-8-22(9-13-25)27(29,23-10-14-26(31-2)15-11-23)24-16-18-28(19-17-24)20-21-6-4-3-5-7-21;3-1(4)2(5)6;/h3-15,24,29H,16-20H2,1-2H3;(H,3,4)(H,5,6);1H2