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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3,4-dichlorophenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3,4-dichlorophenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3,4-dichlorophenyl)methyl]isonipecotic acid Formula: C17H16BrCl2NO2S MolecularWeight: 449.18944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrCl2NO2S/c18-15-4-3-14(24-15)16(11-1-2-12(19)13(20)9-11)21-7-5-10(6-8-21)17(22)23/h1-4,9-10,16H,5-8H2,(H,22,23)