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

Systemtic Name: 1-[(5-bromanylthiophen-2-yl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-bromo-2-thiophenyl)-(3-chlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-bromothiophen-2-yl)-(3-chlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-bromo-2-thienyl)-(3-chlorophenyl)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)Cl)C3=CC=C(S3)Br)C(=O)O

Isomeric SMILES

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

InChI

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