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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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