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

Systemtic Name: (E)-but-2-enedioic acid; 4-[phenyl-(4-propylphenyl)methoxy]piperidine Openeye Name: fumaric acid; 4-[phenyl-(4-propylphenyl)methoxy]piperidine CAS Name: (E)-2-butenedioic acid; 4-[phenyl-(4-propylphenyl)methoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[phenyl-(4-propylphenyl)methoxy]piperidine Traditional Name: fumaric acid; 4-[phenyl-(4-propylphenyl)methoxy]piperidine Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27NO.C4H4O4/c1-2-6-17-9-11-19(12-10-17)21(18-7-4-3-5-8-18)23-20-13-15-22-16-14-20;5-3(6)1-2-4(7)8/h3-5,7-12,20-22H,2,6,13-16H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+