1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(3,4-dichlorophenyl)methyl]nipecotic acid Formula: C19H18BrCl2NO2 MolecularWeight: 443.16172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrCl2NO2/c20-15-6-3-12(4-7-15)18(13-5-8-16(21)17(22)10-13)23-9-1-2-14(11-23)19(24)25/h3-8,10,14,18H,1-2,9,11H2,(H,24,25)