(E)-but-2-enedioic acid; [4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methyl-butyl] decanoate

Systemtic Name: (E)-but-2-enedioic acid; [4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methyl-butyl] decanoate Openeye Name: [4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-methyl-butyl] decanoate; fumaric acid CAS Name: (E)-2-butenedioic acid; decanoic acid [4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-methylbutyl] ester IUPAC Name: (E)-but-2-enedioic acid; [4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-methylbutyl] decanoate Traditional Name: capric acid [4-[4-(6-fluoroindoxazen-3-yl)piperidino]-2-methyl-butyl] ester; fumaric acid Formula: C31H45FN2O7 MolecularWeight: 576.696603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OCC(C)CCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCC(=O)OCC(C)CCN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C27H41FN2O3.C4H4O4/c1-3-4-5-6-7-8-9-10-26(31)32-20-21(2)13-16-30-17-14-22(15-18-30)27-24-12-11-23(28)19-25(24)33-29-27;5-3(6)1-2-4(7)8/h11-12,19,21-22H,3-10,13-18,20H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+