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

Systemtic Name: 1-[(4-bromophenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-bromophenyl)-(2-furyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-bromophenyl)-(2-furanyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-bromophenyl)-(furan-2-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-bromophenyl)-(2-furyl)methyl]isonipecotic acid Formula: C17H18BrNO3 MolecularWeight: 364.23372

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CO3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)Br)C3=CC=CO3

InChI

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