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

Systemtic Name: (E)-2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid Openeye Name: (E)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]but-2-enedioic acid CAS Name: (E)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-butenedioic acid IUPAC Name: (E)-2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]but-2-enedioic acid Traditional Name: (E)-2-[4-(6-fluoroindoxazen-3-yl)piperidino]but-2-enedioic acid Formula: C16H15FN2O5 MolecularWeight: 334.299103

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)/C(=C/C(=O)O)/C(=O)O

InChI

InChI=1S/C16H15FN2O5/c17-10-1-2-11-13(7-10)24-18-15(11)9-3-5-19(6-4-9)12(16(22)23)8-14(20)21/h1-2,7-9H,3-6H2,(H,20,21)(H,22,23)/b12-8+