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

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

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CSC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

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