(2S)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid

Systemtic Name: (2S)-4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxidanylidene-2-propan-2-yl-butanoic acid Openeye Name: (2S)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-isopropyl-4-oxo-butanoic acid CAS Name: (2S)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-4-oxo-2-propan-2-ylbutanoic acid IUPAC Name: (2S)-4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-4-oxo-2-propan-2-ylbutanoic acid Traditional Name: (2S)-4-[4-(6-fluoroindoxazen-3-yl)piperidino]-2-isopropyl-4-keto-butyric acid Formula: C19H23FN2O4 MolecularWeight: 362.395323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23FN2O4/c1-11(2)15(19(24)25)10-17(23)22-7-5-12(6-8-22)18-14-4-3-13(20)9-16(14)26-21-18/h3-4,9,11-12,15H,5-8,10H2,1-2H3,(H,24,25)/t15-/m0/s1