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

Systemtic Name: (E)-but-2-enedioic acid; 4-[(4-butylphenyl)-phenyl-methoxy]-1-methyl-piperidine Openeye Name: 4-[(4-butylphenyl)-phenyl-methoxy]-1-methyl-piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-butylphenyl)-phenylmethoxy]-1-methylpiperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(4-butylphenyl)-phenylmethoxy]-1-methylpiperidine Traditional Name: 4-[(4-butylphenyl)-phenyl-methoxy]-1-methyl-piperidine; fumaric acid Formula: C27H35NO5 MolecularWeight: 453.5705

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCN(CC3)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H31NO.C4H4O4/c1-3-4-8-19-11-13-21(14-12-19)23(20-9-6-5-7-10-20)25-22-15-17-24(2)18-16-22;5-3(6)1-2-4(7)8/h5-7,9-14,22-23H,3-4,8,15-18H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+