(E)-but-2-enedioic acid; 4-[4-(diphenylmethyl)oxypiperidin-1-yl]-1-phenyl-butan-1-one

Systemtic Name: (E)-but-2-enedioic acid; 4-[4-(diphenylmethyl)oxypiperidin-1-yl]-1-phenyl-butan-1-one Openeye Name: 4-(4-benzhydryloxy-1-piperidyl)-1-phenyl-butan-1-one; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[4-(diphenylmethyl)oxy-1-piperidinyl]-1-phenyl-1-butanone IUPAC Name: 4-(4-benzhydryloxypiperidin-1-yl)-1-phenylbutan-1-one; (E)-but-2-enedioic acid Traditional Name: 4-(4-benzhydryloxypiperidino)-1-phenyl-butan-1-one; fumaric acid Formula: C32H35NO6 MolecularWeight: 529.6234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1OC(C2=CC=CC=C2)C3=CC=CC=C3)CCCC(=O)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C28H31NO2.C4H4O4/c30-27(23-11-4-1-5-12-23)17-10-20-29-21-18-26(19-22-29)31-28(24-13-6-2-7-14-24)25-15-8-3-9-16-25;5-3(6)1-2-4(7)8/h1-9,11-16,26,28H,10,17-22H2;1-2H,(H,5,6)(H,7,8)/b;2-1+