3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-phenyl-propanoic acid

Systemtic Name: 3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-phenyl-propanoic acid Openeye Name: 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-phenyl-propanoic acid CAS Name: 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-phenylpropanoic acid IUPAC Name: 3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-phenylpropanoic acid Traditional Name: 3-[4-(6-fluoroindoxazen-3-yl)piperidino]-2-phenyl-propionic acid Formula: C21H21FN2O3 MolecularWeight: 368.401443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CC(C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CC(C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C21H21FN2O3/c22-16-6-7-17-19(12-16)27-23-20(17)15-8-10-24(11-9-15)13-18(21(25)26)14-4-2-1-3-5-14/h1-7,12,15,18H,8-11,13H2,(H,25,26)