(E)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)piperidine

Systemtic Name: (E)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)piperidine Openeye Name: 2-(2,2-dicyclohexylethyl)piperidine; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-(2,2-dicyclohexylethyl)piperidine IUPAC Name: (E)-but-2-enedioic acid; 2-(2,2-dicyclohexylethyl)piperidine Traditional Name: 2-(2,2-dicyclohexylethyl)piperidine; fumaric acid Formula: C23H39NO4 MolecularWeight: 393.56006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C19H35N.C4H4O4/c1-3-9-16(10-4-1)19(17-11-5-2-6-12-17)15-18-13-7-8-14-20-18;5-3(6)1-2-4(7)8/h16-20H,1-15H2;1-2H,(H,5,6)(H,7,8)/b;2-1+