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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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