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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]isonipecotic acid Formula: C27H25NO2S MolecularWeight: 427.5579

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

InChI=1S/C27H25NO2S/c29-27(30)22-14-16-28(17-15-22)26(24-18-31-25-9-5-4-8-23(24)25)21-12-10-20(11-13-21)19-6-2-1-3-7-19/h1-13,18,22,26H,14-17H2,(H,29,30)