ethanedioic acid; [4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone

Systemtic Name: ethanedioic acid; [4-[1-(phenylmethyl)piperidin-4-yl]piperazin-1-yl]-(4-phenylphenyl)methanone Openeye Name: [4-(1-benzyl-4-piperidyl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid CAS Name: oxalic acid; [4-[1-(phenylmethyl)-4-piperidinyl]-1-piperazinyl]-(4-phenylphenyl)methanone IUPAC Name: [4-(1-benzylpiperidin-4-yl)piperazin-1-yl]-(4-phenylphenyl)methanone; oxalic acid Traditional Name: [4-(1-benzyl-4-piperidyl)piperazino]-(4-phenylphenyl)methanone; oxalic acid Formula: C31H35N3O5 MolecularWeight: 529.6267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1CN(CCC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)C4=CC=CC=C4)CC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C29H33N3O.C2H2O4/c33-29(27-13-11-26(12-14-27)25-9-5-2-6-10-25)32-21-19-31(20-22-32)28-15-17-30(18-16-28)23-24-7-3-1-4-8-24;3-1(4)2(5)6/h1-14,28H,15-23H2;(H,3,4)(H,5,6)