(E)-but-2-enedioic acid; 1-[2-(2,2-dimethyl-1-phenyl-propoxy)ethyl]piperidine

Systemtic Name: (E)-but-2-enedioic acid; 1-[2-(2,2-dimethyl-1-phenyl-propoxy)ethyl]piperidine Openeye Name: 1-[2-(2,2-dimethyl-1-phenyl-propoxy)ethyl]piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 1-[2-(2,2-dimethyl-1-phenylpropoxy)ethyl]piperidine IUPAC Name: (E)-but-2-enedioic acid; 1-[2-(2,2-dimethyl-1-phenylpropoxy)ethyl]piperidine Traditional Name: 1-[2-(2,2-dimethyl-1-phenyl-propoxy)ethyl]piperidine; fumaric acid Formula: C22H33NO5 MolecularWeight: 391.50112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CC=CC=C1)OCCN2CCCCC2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C(C1=CC=CC=C1)OCCN2CCCCC2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H29NO.C4H4O4/c1-18(2,3)17(16-10-6-4-7-11-16)20-15-14-19-12-8-5-9-13-19;5-3(6)1-2-4(7)8/h4,6-7,10-11,17H,5,8-9,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+