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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-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=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

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