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

Systemtic Name: (E)-but-2-enedioic acid; 4-[(4-methylphenyl)-phenyl-methoxy]piperidine Openeye Name: fumaric acid; 4-[phenyl(p-tolyl)methoxy]piperidine CAS Name: (E)-2-butenedioic acid; 4-[(4-methylphenyl)-phenylmethoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(4-methylphenyl)-phenylmethoxy]piperidine Traditional Name: fumaric acid; 4-[phenyl(p-tolyl)methoxy]piperidine Formula: C23H27NO5 MolecularWeight: 397.46418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H23NO.C4H4O4/c1-15-7-9-17(10-8-15)19(16-5-3-2-4-6-16)21-18-11-13-20-14-12-18;5-3(6)1-2-4(7)8/h2-10,18-20H,11-14H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+