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

Systemtic Name: (E)-but-2-enedioic acid; 4-[(4-ethoxyphenyl)-phenyl-methoxy]piperidine Openeye Name: 4-[(4-ethoxyphenyl)-phenyl-methoxy]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine IUPAC Name: (E)-but-2-enedioic acid; 4-[(4-ethoxyphenyl)-phenylmethoxy]piperidine Traditional Name: fumaric acid; 4-[phenyl(p-phenetyl)methoxy]piperidine Formula: C24H29NO6 MolecularWeight: 427.49016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCNCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C20H25NO2.C4H4O4/c1-2-22-18-10-8-17(9-11-18)20(16-6-4-3-5-7-16)23-19-12-14-21-15-13-19;5-3(6)1-2-4(7)8/h3-11,19-21H,2,12-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+