(Z)-but-2-enedioic acid; 3-[4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-yl]propan-1-ol

Systemtic Name: (Z)-but-2-enedioic acid; 3-[4-[[2-(phenylmethyl)phenyl]methyl]piperazin-1-yl]propan-1-ol Openeye Name: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propan-1-ol; maleic acid CAS Name: (Z)-2-butenedioic acid; 3-[4-[[2-(phenylmethyl)phenyl]methyl]-1-piperazinyl]-1-propanol IUPAC Name: 3-[4-[(2-benzylphenyl)methyl]piperazin-1-yl]propan-1-ol; (Z)-but-2-enedioic acid Traditional Name: 3-[4-(2-benzylbenzyl)piperazino]propan-1-ol; maleic acid Formula: C25H32N2O5 MolecularWeight: 440.53198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCO)CC2=CC=CC=C2CC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1CCCO)CC2=CC=CC=C2CC3=CC=CC=C3.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C21H28N2O.C4H4O4/c24-16-6-11-22-12-14-23(15-13-22)18-21-10-5-4-9-20(21)17-19-7-2-1-3-8-19;5-3(6)1-2-4(7)8/h1-5,7-10,24H,6,11-18H2;1-2H,(H,5,6)(H,7,8)/b;2-1-