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

Systemtic Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(6-methyl-2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(6-methylpyridin-2-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl-(6-methyl-2-pyridyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=NC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

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