(E)-but-2-enedioic acid; 1-(3-methoxypropyl)-4,4-diphenyl-piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-(3-methoxypropyl)-4,4-diphenyl-piperidine Openeye Name: fumaric acid; 1-(3-methoxypropyl)-4,4-diphenyl-piperidine CAS Name: (E)-2-butenedioic acid; 1-(3-methoxypropyl)-4,4-diphenylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 1-(3-methoxypropyl)-4,4-diphenylpiperidine Traditional Name: fumaric acid; 1-(3-methoxypropyl)-4,4-diphenyl-piperidine Formula: C25H31NO5 MolecularWeight: 425.51734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COCCCN1CCC(CC1)(C2=CC=CC=C2)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27NO.C4H4O4/c1-23-18-8-15-22-16-13-21(14-17-22,19-9-4-2-5-10-19)20-11-6-3-7-12-20;5-3(6)1-2-4(7)8/h2-7,9-12H,8,13-18H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+