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

Systemtic Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(3-methyl-4-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(3-methylpyridin-4-yl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(3-methyl-4-pyridyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=C(C=CN=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

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