(3S)-2-butyl-3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]decanoic acid

Systemtic Name: (3S)-2-butyl-3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]decanoic acid Openeye Name: (3S)-2-butyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]decanoic acid CAS Name: (3S)-2-butyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]decanoic acid IUPAC Name: (3S)-2-butyl-3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]decanoic acid Traditional Name: (3S)-2-butyl-3-[4-(6-fluoroindoxazen-3-yl)piperidino]capric acid Formula: C26H39FN2O3 MolecularWeight: 446.597863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CCCC)C(=O)O)N1CCC(CC1)C2=NOC3=C2C=CC(=C3)F

Isomeric SMILES

CCCCCCC[C@@H](C(CCCC)C(=O)O)N1CCC(CC1)C2=NOC3=C2C=CC(=C3)F

InChI

InChI=1S/C26H39FN2O3/c1-3-5-7-8-9-11-23(21(26(30)31)10-6-4-2)29-16-14-19(15-17-29)25-22-13-12-20(27)18-24(22)32-28-25/h12-13,18-19,21,23H,3-11,14-17H2,1-2H3,(H,30,31)/t21?,23-/m0/s1