[[2-bromanyl-4-[[(3,4-dichlorophenyl)-[5-[4-(2-methoxycarbonylphenyl)phenyl]-1,3-oxazol-2-yl]amino]methyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid

Systemtic Name: [[2-bromanyl-4-[[(3,4-dichlorophenyl)-[5-[4-(2-methoxycarbonylphenyl)phenyl]-1,3-oxazol-2-yl]amino]methyl]phenyl]-bis(fluoranyl)methyl]phosphonic acid Openeye Name: [[2-bromo-4-[(3,4-dichloro-N-[5-[4-(2-methoxycarbonylphenyl)phenyl]oxazol-2-yl]anilino)methyl]phenyl]-difluoro-methyl]phosphonic acid CAS Name: [[2-bromo-4-[(3,4-dichloro-N-[5-[4-(2-methoxycarbonylphenyl)phenyl]-2-oxazolyl]anilino)methyl]phenyl]-difluoromethyl]phosphonic acid IUPAC Name: [[2-bromo-4-[(3,4-dichloro-N-[5-[4-(2-methoxycarbonylphenyl)phenyl]-1,3-oxazol-2-yl]anilino)methyl]phenyl]-difluoromethyl]phosphonic acid Traditional Name: [[2-bromo-4-[(N-[5-[4-(2-carbomethoxyphenyl)phenyl]oxazol-2-yl]-3,4-dichloro-anilino)methyl]phenyl]-difluoro-methyl]phosphonic acid Formula: C31H22BrCl2F2N2O6P MolecularWeight: 738.296747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=CN=C(O3)N(CC4=CC(=C(C=C4)C(F)(F)P(=O)(O)O)Br)C5=CC(=C(C=C5)Cl)Cl

Isomeric SMILES

COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C3=CN=C(O3)N(CC4=CC(=C(C=C4)C(F)(F)P(=O)(O)O)Br)C5=CC(=C(C=C5)Cl)Cl

InChI

InChI=1S/C31H22BrCl2F2N2O6P/c1-43-29(39)23-5-3-2-4-22(23)19-7-9-20(10-8-19)28-16-37-30(44-28)38(21-11-13-26(33)27(34)15-21)17-18-6-12-24(25(32)14-18)31(35,36)45(40,41)42/h2-16H,17H2,1H3,(H2,40,41,42)