2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-6-methoxy-phenol; ethanedioic acid

Systemtic Name: 2-[[4-(diphenylmethyl)piperazin-1-yl]methyl]-6-methoxy-phenol; ethanedioic acid Openeye Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-6-methoxy-phenol; oxalic acid CAS Name: 2-[[4-(diphenylmethyl)-1-piperazinyl]methyl]-6-methoxyphenol; oxalic acid IUPAC Name: 2-[(4-benzhydrylpiperazin-1-yl)methyl]-6-methoxyphenol; oxalic acid Traditional Name: 2-[(4-benzhydrylpiperazino)methyl]-6-methoxy-phenol; oxalic acid Formula: C31H34N2O14 MolecularWeight: 658.60666

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H28N2O2.3C2H2O4/c1-29-23-14-8-13-22(25(23)28)19-26-15-17-27(18-16-26)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21;3*3-1(4)2(5)6/h2-14,24,28H,15-19H2,1H3;3*(H,3,4)(H,5,6)