ethanedioic acid; [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-diphenyl-methanol

Systemtic Name: ethanedioic acid; [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-diphenyl-methanol Openeye Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-diphenyl-methanol; oxalic acid CAS Name: [4-[(4-fluorophenyl)methyl]-1-piperazinyl]-diphenylmethanol; oxalic acid IUPAC Name: [4-[(4-fluorophenyl)methyl]piperazin-1-yl]-diphenylmethanol; oxalic acid Traditional Name: [4-(4-fluorobenzyl)piperazino]-diphenyl-methanol; oxalic acid Formula: C26H27FN2O5 MolecularWeight: 466.501383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)F)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)F)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H25FN2O.C2H2O4/c25-23-13-11-20(12-14-23)19-26-15-17-27(18-16-26)24(28,21-7-3-1-4-8-21)22-9-5-2-6-10-22;3-1(4)2(5)6/h1-14,28H,15-19H2;(H,3,4)(H,5,6)