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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-chlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-chlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)methyl]isonipecotic acid Formula: C17H17BrClNO2S MolecularWeight: 414.74438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC=C(S3)Br

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=CC=C2)Cl)C3=CC=C(S3)Br

InChI

InChI=1S/C17H17BrClNO2S/c18-15-5-4-14(23-15)16(12-2-1-3-13(19)10-12)20-8-6-11(7-9-20)17(21)22/h1-5,10-11,16H,6-9H2,(H,21,22)