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

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

Isomeric SMILES

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

InChI

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