1-[1-benzothiophen-2-yl-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(3-methyl-2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methyl-2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methylpyridin-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(3-methyl-2-pyridyl)methyl]isonipecotic acid Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(N=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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