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

Systemtic Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-benzothiophen-3-yl-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[benzothiophen-3-yl-(4-phenylphenyl)methyl]pipecolinic acid Formula: C27H25NO2S MolecularWeight: 427.5579

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CSC5=CC=CC=C54

InChI

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