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

Systemtic Name: 1-[(2-bromophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(2-bromophenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(2-bromophenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(2-bromophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(2-bromophenyl)-(2-furyl)methyl]nipecotic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=CO3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=CC=C2Br)C3=CC=CO3)C(=O)O

InChI

InChI=1S/C17H18BrNO3/c18-14-7-2-1-6-13(14)16(15-8-4-10-22-15)19-9-3-5-12(11-19)17(20)21/h1-2,4,6-8,10,12,16H,3,5,9,11H2,(H,20,21)