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1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name:1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid
Openeye Name:1-[benzothiophen-3-yl-(3-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid
CAS Name:1-[1-benzothiophen-3-yl-(3-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid
IUPAC Name:1-[1-benzothiophen-3-yl-(3-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid
Traditional Name:1-[benzothiophen-3-yl-(3-methyl-2-pyridyl)methyl]nipecotic acid
Formula: C21H22N2O2S
MolecularWeight: 366.47658
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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O


Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O


InChI

InChI=1S/C21H22N2O2S/c1-14-6-4-10-22-19(14)20(23-11-5-7-15(12-23)21(24)25)17-13-26-18-9-3-2-8-16(17)18/h2-4,6,8-10,13,15,20H,5,7,11-12H2,1H3,(H,24,25)


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