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1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name:1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]-4-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]piperidine-4-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-(2-methoxyphenyl)methyl]isonipecotic acid
Formula: C21H22N2O3S
MolecularWeight: 382.47598
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O


Isomeric SMILES

COC1=CC=CC=C1C(C2=NC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O


InChI

InChI=1S/C21H22N2O3S/c1-26-17-8-4-2-6-15(17)19(23-12-10-14(11-13-23)21(24)25)20-22-16-7-3-5-9-18(16)27-20/h2-9,14,19H,10-13H2,1H3,(H,24,25)


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