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

Systemtic Name: 1-[1-benzothiophen-2-yl-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(m-tolyl)methyl]isonipecotic 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)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

InChI

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