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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCCC4C(=O)O

InChI

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