(E)-but-2-enedioic acid; 4-(diphenylmethyl)-1-(3-phenoxypropyl)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-(diphenylmethyl)-1-(3-phenoxypropyl)piperidine Openeye Name: 4-benzhydryl-1-(3-phenoxypropyl)piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(diphenylmethyl)-1-(3-phenoxypropyl)piperidine IUPAC Name: 4-benzhydryl-1-(3-phenoxypropyl)piperidine; (E)-but-2-enedioic acid Traditional Name: 4-benzhydryl-1-(3-phenoxypropyl)piperidine; fumaric acid Formula: C31H35NO5 MolecularWeight: 501.6133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C(C2=CC=CC=C2)C3=CC=CC=C3)CCCOC4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H31NO.C4H4O4/c1-4-11-23(12-5-1)27(24-13-6-2-7-14-24)25-17-20-28(21-18-25)19-10-22-29-26-15-8-3-9-16-26;5-3(6)1-2-4(7)8/h1-9,11-16,25,27H,10,17-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+