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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2-methylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl(o-tolyl)methyl]pipecolinic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O

InChI

InChI=1S/C22H23NO2S/c1-15-8-2-3-9-16(15)21(23-13-7-6-11-19(23)22(24)25)18-14-26-20-12-5-4-10-17(18)20/h2-5,8-10,12,14,19,21H,6-7,11,13H2,1H3,(H,24,25)