1-[(5-bromanylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(4-phenylphenyl)methyl]nipecotic acid Formula: C23H22BrNO2S MolecularWeight: 456.39528

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=C(S4)Br)C(=O)O

InChI

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