3-[1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid

Systemtic Name: 3-[1-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-oxidanyl-2-oxidanylidene-ethyl]-1-methyl-indole-6-carboxylic acid Openeye Name: 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]-2-hydroxy-2-oxo-ethyl]-1-methyl-indole-6-carboxylic acid CAS Name: 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]-2-hydroxy-2-oxoethyl]-1-methyl-6-indolecarboxylic acid IUPAC Name: 3-[1-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]-2-hydroxy-2-oxoethyl]-1-methylindole-6-carboxylic acid Traditional Name: 3-[1-[4-(6-fluoroindoxazen-3-yl)piperidino]-2-hydroxy-2-keto-ethyl]-1-methyl-indole-6-carboxylic acid Formula: C24H22FN3O5 MolecularWeight: 451.446983

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

Isomeric SMILES

CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCC(CC3)C4=NOC5=C4C=CC(=C5)F

InChI

InChI=1S/C24H22FN3O5/c1-27-12-18(16-4-2-14(23(29)30)10-19(16)27)22(24(31)32)28-8-6-13(7-9-28)21-17-5-3-15(25)11-20(17)33-26-21/h2-5,10-13,22H,6-9H2,1H3,(H,29,30)(H,31,32)