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

Systemtic Name: (E)-but-2-enedioic acid; 1-methyl-2-[[(4-methylphenyl)-phenyl-methoxy]methyl]piperidine Openeye Name: fumaric acid; 1-methyl-2-[[phenyl(p-tolyl)methoxy]methyl]piperidine CAS Name: (E)-2-butenedioic acid; 1-methyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidine IUPAC Name: (E)-but-2-enedioic acid; 1-methyl-2-[[(4-methylphenyl)-phenylmethoxy]methyl]piperidine Traditional Name: fumaric acid; 1-methyl-2-[[phenyl(p-tolyl)methoxy]methyl]piperidine Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC3CCCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=CC=C2)OCC3CCCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

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