2-[(5-bromanylfuran-2-yl)methyl-(4-chloranyl-2-iodanyl-phenyl)carbonyl-amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(5-bromanylfuran-2-yl)methyl-(4-chloranyl-2-iodanyl-phenyl)carbonyl-amino]-3-phenyl-propanoic acid Openeye Name: 2-[(5-bromo-2-furyl)methyl-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propanoic acid CAS Name: 2-[(5-bromo-2-furanyl)methyl-[(4-chloro-2-iodophenyl)-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[(5-bromofuran-2-yl)methyl-(4-chloro-2-iodobenzoyl)amino]-3-phenylpropanoic acid Traditional Name: 2-[(5-bromo-2-furyl)methyl-(4-chloro-2-iodo-benzoyl)amino]-3-phenyl-propionic acid Formula: C21H16BrClINO4 MolecularWeight: 588.61751

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC=C(O2)Br)C(=O)C3=C(C=C(C=C3)Cl)I

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)N(CC2=CC=C(O2)Br)C(=O)C3=C(C=C(C=C3)Cl)I

InChI

InChI=1S/C21H16BrClINO4/c22-19-9-7-15(29-19)12-25(20(26)16-8-6-14(23)11-17(16)24)18(21(27)28)10-13-4-2-1-3-5-13/h1-9,11,18H,10,12H2,(H,27,28)