4-[[5-(4-bromophenyl)furan-2-yl]methylamino]butanoic acid

Systemtic Name: 4-[[5-(4-bromophenyl)furan-2-yl]methylamino]butanoic acid Openeye Name: 4-[[5-(4-bromophenyl)-2-furyl]methylamino]butanoic acid CAS Name: 4-[[5-(4-bromophenyl)-2-furanyl]methylamino]butanoic acid IUPAC Name: 4-[[5-(4-bromophenyl)furan-2-yl]methylamino]butanoic acid Traditional Name: 4-[[5-(4-bromophenyl)-2-furyl]methylamino]butyric acid Formula: C15H16BrNO3 MolecularWeight: 338.19644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)CNCCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)CNCCCC(=O)O)Br

InChI

InChI=1S/C15H16BrNO3/c16-12-5-3-11(4-6-12)14-8-7-13(20-14)10-17-9-1-2-15(18)19/h3-8,17H,1-2,9-10H2,(H,18,19)