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1-[1,3-benzothiazol-2-yl-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

1-[1,3-benzothiazol-2-yl-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[1,3-benzothiazol-2-yl-(5-fluoranyl-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-(5-fluoro-2-methoxy-phenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-(5-fluoro-2-methoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-(5-fluoro-2-methoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-(5-fluoro-2-methoxy-phenyl)methyl]nipecotic acid
Formula: C21H21FN2O3S
MolecularWeight: 400.466443
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)F)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O


Isomeric SMILES

COC1=C(C=C(C=C1)F)C(C2=NC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O


InChI

InChI=1S/C21H21FN2O3S/c1-27-17-9-8-14(22)11-15(17)19(24-10-4-5-13(12-24)21(25)26)20-23-16-6-2-3-7-18(16)28-20/h2-3,6-9,11,13,19H,4-5,10,12H2,1H3,(H,25,26)


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