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

Systemtic Name: (E)-but-2-enedioic acid; 4-[(4-butylphenyl)-phenyl-methoxy]piperidine Openeye Name: 4-[(4-butylphenyl)-phenyl-methoxy]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-butylphenyl)-phenylmethoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(4-butylphenyl)-phenylmethoxy]piperidine Traditional Name: 4-[(4-butylphenyl)-phenyl-methoxy]piperidine; fumaric acid Formula: C26H33NO5 MolecularWeight: 439.54392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C22H29NO.C4H4O4/c1-2-3-7-18-10-12-20(13-11-18)22(19-8-5-4-6-9-19)24-21-14-16-23-17-15-21;5-3(6)1-2-4(7)8/h4-6,8-13,21-23H,2-3,7,14-17H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+