1-[(4-bromophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-bromophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-furyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-furanyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(furan-2-yl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)Br)C3=CC=CO3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO3/c18-14-7-5-12(6-8-14)16(15-4-2-10-22-15)19-9-1-3-13(11-19)17(20)21/h2,4-8,10,13,16H,1,3,9,11H2,(H,20,21)