butan-1-ol; (E)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]oxy-4-oxidanylidene-but-2-enoate

Systemtic Name: butan-1-ol; (E)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]oxy-4-oxidanylidene-but-2-enoate Openeye Name: butan-1-ol; (E)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]oxy]-4-oxo-but-2-enoate CAS Name: 1-butanol; (E)-4-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]oxy]-4-oxo-2-butenoate IUPAC Name: butan-1-ol; (E)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]oxy-4-oxobut-2-enoate Traditional Name: butan-1-ol; (E)-4-[4-(6-fluoroindoxazen-3-yl)piperidino]oxy-4-keto-but-2-enoate Formula: C20H24FN2O6- MolecularWeight: 407.412763

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Descriptors Computed from Structure

Canonical SMILES:

CCCCO.C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)OC(=O)C=CC(=O)[O-]

Isomeric SMILES

CCCCO.C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)OC(=O)/C=C/C(=O)[O-]

InChI

InChI=1S/C16H15FN2O5.C4H10O/c17-11-1-2-12-13(9-11)23-18-16(12)10-5-7-19(8-6-10)24-15(22)4-3-14(20)21;1-2-3-4-5/h1-4,9-10H,5-8H2,(H,20,21);5H,2-4H2,1H3/p-1/b4-3+;