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

Systemtic Name: (E)-but-2-enedioic acid; butyl 2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethanoate Openeye Name: butyl 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]acetate; fumaric acid CAS Name: (E)-2-butenedioic acid; 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]acetic acid butyl ester IUPAC Name: (E)-but-2-enedioic acid; butyl 2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]acetate Traditional Name: 2-[4-(6-fluoroindoxazen-3-yl)piperidino]acetic acid butyl ester; fumaric acid Formula: C22H27FN2O7 MolecularWeight: 450.457383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCOC(=O)CN1CCC(CC1)C2=NOC3=C2C=CC(=C3)F.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H23FN2O3.C4H4O4/c1-2-3-10-23-17(22)12-21-8-6-13(7-9-21)18-15-5-4-14(19)11-16(15)24-20-18;5-3(6)1-2-4(7)8/h4-5,11,13H,2-3,6-10,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+