1-[(3-bromophenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-bromophenyl)-(5-chloranylthiophen-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-bromophenyl)-(5-chloro-2-thienyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-bromophenyl)-(5-chloro-2-thiophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-bromophenyl)-(5-chlorothiophen-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-bromophenyl)-(5-chloro-2-thienyl)methyl]nipecotic acid Formula: C17H17BrClNO2S MolecularWeight: 414.74438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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