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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

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

InChI

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