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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl(p-tolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-methylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-methylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-yl(p-tolyl)methyl]nipecotic acid Formula: C22H23NO2S MolecularWeight: 365.48852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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