1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(6-methyl-2-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]nipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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