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

Systemtic Name: 1-[1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(2,4-dimethylphenyl)methyl]pipecolinic acid Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCCC4C(=O)O)C

InChI

InChI=1S/C23H25NO2S/c1-15-10-11-17(16(2)13-15)22(24-12-6-5-8-20(24)23(25)26)19-14-27-21-9-4-3-7-18(19)21/h3-4,7,9-11,13-14,20,22H,5-6,8,12H2,1-2H3,(H,25,26)