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

Systemtic Name: 1-[1-benzothiophen-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[benzothiophen-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[1-benzothiophen-2-yl-(4-ethylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-2-yl-(4-ethylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[benzothiophen-2-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=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3S2)N4CCCC(C4)C(=O)O

InChI

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