4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]-4-oxidanylidene-2-phenethyl-butanoic acid

Systemtic Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluoranyl-phenyl]phenyl]-4-oxidanylidene-2-phenethyl-butanoic acid Openeye Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluoro-phenyl]phenyl]-4-oxo-2-phenethyl-butanoic acid CAS Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluorophenyl]phenyl]-4-oxo-2-phenethylbutanoic acid IUPAC Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluorophenyl]phenyl]-4-oxo-2-phenethylbutanoic acid Traditional Name: 4-[4-[4-(1,3-benzoxazol-2-ylamino)-3-fluoro-phenyl]phenyl]-4-keto-2-phenethyl-butyric acid Formula: C31H25FN2O4 MolecularWeight: 508.539603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5O4)F)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CC(=O)C2=CC=C(C=C2)C3=CC(=C(C=C3)NC4=NC5=CC=CC=C5O4)F)C(=O)O

InChI

InChI=1S/C31H25FN2O4/c32-25-18-23(16-17-26(25)33-31-34-27-8-4-5-9-29(27)38-31)21-12-14-22(15-13-21)28(35)19-24(30(36)37)11-10-20-6-2-1-3-7-20/h1-9,12-18,24H,10-11,19H2,(H,33,34)(H,36,37)