3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[5,6-bis(fluoranyl)-1,3-benzoxazol-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[3-[3,5-bis(chloranyl)phenyl]-5-[5,6-bis(fluoranyl)-1,3-benzoxazol-2-yl]pyrazol-1-yl]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(5,6-difluoro-1,3-benzoxazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[3-(3,5-dichlorophenyl)-5-(5,6-difluoro-1,3-benzoxazol-2-yl)-1-pyrazolyl]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(5,6-difluoro-1,3-benzoxazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[3-(3,5-dichlorophenyl)-5-(5,6-difluoro-1,3-benzoxazol-2-yl)pyrazol-1-yl]methyl]benzoyl]amino]propionic acid Formula: C27H18Cl2F2N4O4 MolecularWeight: 571.359026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=NC5=CC(=C(C=C5O4)F)F)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C(=CC(=N2)C3=CC(=CC(=C3)Cl)Cl)C4=NC5=CC(=C(C=C5O4)F)F)C(=O)NCCC(=O)O

InChI

InChI=1S/C27H18Cl2F2N4O4/c28-17-7-16(8-18(29)9-17)21-12-23(27-33-22-10-19(30)20(31)11-24(22)39-27)35(34-21)13-14-1-3-15(4-2-14)26(38)32-6-5-25(36)37/h1-4,7-12H,5-6,13H2,(H,32,38)(H,36,37)