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

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

Systemtic Name:1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[1,3-benzothiazol-2-yl-(3,4-dimethoxyphenyl)methyl]nipecotic acid
Formula: C22H24N2O4S
MolecularWeight: 412.50196
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H24N2O4S/c1-27-17-10-9-14(12-18(17)28-2)20(24-11-5-6-15(13-24)22(25)26)21-23-16-7-3-4-8-19(16)29-21/h3-4,7-10,12,15,20H,5-6,11,13H2,1-2H3,(H,25,26)


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