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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCCCN3C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CCCCN3C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H27NO.C4H4O4/c1-3-17-12-14-19(15-13-17)21(18-9-5-4-6-10-18)23-20-11-7-8-16-22(20)2;5-3(6)1-2-4(7)8/h4-6,9-10,12-15,20-21H,3,7-8,11,16H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+