4-fluoranyl-2-methylsulfanyl-5-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid

Systemtic Name: 4-fluoranyl-2-methylsulfanyl-5-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid Openeye Name: 5-(1-benzyloxycarbonyl-4-piperidyl)-4-fluoro-2-methylsulfanyl-benzoic acid CAS Name: 4-fluoro-2-(methylthio)-5-(1-phenylmethoxycarbonyl-4-piperidinyl)benzoic acid IUPAC Name: 4-fluoro-2-methylsulfanyl-5-(1-phenylmethoxycarbonylpiperidin-4-yl)benzoic acid Traditional Name: 5-(1-carbobenzoxy-4-piperidyl)-4-fluoro-2-(methylthio)benzoic acid Formula: C21H22FNO4S MolecularWeight: 403.467083

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1C(=O)O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)F

Isomeric SMILES

CSC1=CC(=C(C=C1C(=O)O)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)F

InChI

InChI=1S/C21H22FNO4S/c1-28-19-12-18(22)16(11-17(19)20(24)25)15-7-9-23(10-8-15)21(26)27-13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13H2,1H3,(H,24,25)