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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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