1-[(5-bromanylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-phenylphenyl)methyl]isonipecotic acid Formula: C23H22BrNO2S MolecularWeight: 456.39528

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(S4)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(S4)Br

InChI

InChI=1S/C23H22BrNO2S/c24-21-11-10-20(28-21)22(25-14-12-19(13-15-25)23(26)27)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-11,19,22H,12-15H2,(H,26,27)