(E)-but-2-enedioic acid; 4-[3-(cycloheptylidenemethyl)-4-methoxy-phenyl]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 4-[3-(cycloheptylidenemethyl)-4-methoxy-phenyl]piperidine Openeye Name: 4-[3-(cycloheptylidenemethyl)-4-methoxy-phenyl]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[3-(cycloheptylidenemethyl)-4-methoxyphenyl]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[3-(cycloheptylidenemethyl)-4-methoxyphenyl]piperidine Traditional Name: 4-[3-(cycloheptylidenemethyl)-4-methoxy-phenyl]piperidine; fumaric acid Formula: C24H33NO5 MolecularWeight: 415.52252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCNCC2)C=C3CCCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCNCC2)C=C3CCCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H29NO.C4H4O4/c1-22-20-9-8-18(17-10-12-21-13-11-17)15-19(20)14-16-6-4-2-3-5-7-16;5-3(6)1-2-4(7)8/h8-9,14-15,17,21H,2-7,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+