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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)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)21-15-19-5-3-4-6-20(19)27-21/h3-10,15,18,22H,2,11-14H2,1H3,(H,25,26)