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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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