3-[4-[[3-[2-fluoranyl-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-[2-fluoranyl-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxidanylidene-pyridin-1-yl]methyl]phenyl]propanoic acid Openeye Name: 3-[4-[[3-[2-fluoro-4-(o-tolylcarbamoylamino)phenyl]-2-oxo-1-pyridyl]methyl]phenyl]propanoic acid CAS Name: 3-[4-[[3-[2-fluoro-4-[[(2-methylanilino)-oxomethyl]amino]phenyl]-2-oxo-1-pyridinyl]methyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-[2-fluoro-4-[(2-methylphenyl)carbamoylamino]phenyl]-2-oxopyridin-1-yl]methyl]phenyl]propanoic acid Traditional Name: 3-[4-[[3-[2-fluoro-4-(o-tolylcarbamoylamino)phenyl]-2-keto-1-pyridyl]methyl]phenyl]propionic acid Formula: C29H26FN3O4 MolecularWeight: 499.532843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)CCC(=O)O)F

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC(=C(C=C2)C3=CC=CN(C3=O)CC4=CC=C(C=C4)CCC(=O)O)F

InChI

InChI=1S/C29H26FN3O4/c1-19-5-2-3-7-26(19)32-29(37)31-22-13-14-23(25(30)17-22)24-6-4-16-33(28(24)36)18-21-10-8-20(9-11-21)12-15-27(34)35/h2-11,13-14,16-17H,12,15,18H2,1H3,(H,34,35)(H2,31,32,37)