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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)Cl)C3=CC=C(S3)Br)C(=O)O

InChI

InChI=1S/C17H16BrCl2NO2S/c18-15-6-5-14(24-15)16(10-3-4-12(19)13(20)8-10)21-7-1-2-11(9-21)17(22)23/h3-6,8,11,16H,1-2,7,9H2,(H,22,23)