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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC5=CC=CC=C5S4)C(=O)O

InChI

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