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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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