(E)-but-2-enedioic acid; 1-methyl-4-[(4-methylphenyl)-phenyl-methoxy]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-4-[(4-methylphenyl)-phenyl-methoxy]piperidine Openeye Name: fumaric acid; 1-methyl-4-[phenyl(p-tolyl)methoxy]piperidine CAS Name: (E)-2-butenedioic acid; 1-methyl-4-[(4-methylphenyl)-phenylmethoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-4-[(4-methylphenyl)-phenylmethoxy]piperidine Traditional Name: fumaric acid; 1-methyl-4-[phenyl(p-tolyl)methoxy]piperidine Formula: C24H29NO5 MolecularWeight: 411.49076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO.C4H4O4/c1-16-8-10-18(11-9-16)20(17-6-4-3-5-7-17)22-19-12-14-21(2)15-13-19;5-3(6)1-2-4(7)8/h3-11,19-20H,12-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+