O1-ethyl O4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl] (E)-but-2-enedioate

Systemtic Name: O1-ethyl O4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl] (E)-but-2-enedioate Openeye Name: O1-ethyl O4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl] (E)-but-2-enedioate CAS Name: (E)-2-butenedioic acid O1-ethyl ester O4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl] ester IUPAC Name: 1-O-ethyl 4-O-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl] (E)-but-2-enedioate Traditional Name: (E)-but-2-enedioic acid O1-ethyl ester O4-[4-(6-fluoroindoxazen-3-yl)piperidino] ester Formula: C18H19FN2O5 MolecularWeight: 362.352263

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)ON1CCC(CC1)C2=NOC3=C2C=CC(=C3)F

Isomeric SMILES

CCOC(=O)/C=C/C(=O)ON1CCC(CC1)C2=NOC3=C2C=CC(=C3)F

InChI

InChI=1S/C18H19FN2O5/c1-2-24-16(22)5-6-17(23)26-21-9-7-12(8-10-21)18-14-4-3-13(19)11-15(14)25-20-18/h3-6,11-12H,2,7-10H2,1H3/b6-5+