(E)-but-2-enedioic acid; 2-cyclobutyl-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-oxidanyl-2-phenyl-ethanamide

Systemtic Name: (E)-but-2-enedioic acid; 2-cyclobutyl-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-oxidanyl-2-phenyl-ethanamide Openeye Name: 2-cyclobutyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidyl]-2-phenyl-acetamide; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-cyclobutyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidinyl]-2-phenylacetamide IUPAC Name: (E)-but-2-enedioic acid; 2-cyclobutyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)piperidin-4-yl]-2-phenylacetamide Traditional Name: 2-cyclobutyl-2-hydroxy-N-[1-(4-methylpent-3-enyl)-4-piperidyl]-2-phenyl-acetamide; fumaric acid Formula: C27H38N2O6 MolecularWeight: 486.60042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCCN1CCC(CC1)NC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(=CCCN1CCC(CC1)NC(=O)C(C2CCC2)(C3=CC=CC=C3)O)C.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C23H34N2O2.C4H4O4/c1-18(2)8-7-15-25-16-13-21(14-17-25)24-22(26)23(27,20-11-6-12-20)19-9-4-3-5-10-19;5-3(6)1-2-4(7)8/h3-5,8-10,20-21,27H,6-7,11-17H2,1-2H3,(H,24,26);1-2H,(H,5,6)(H,7,8)/b;2-1+