1-[1-benzothiophen-3-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-3-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(5-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(5-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(5-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(5-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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