3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-6-methyl-2-oxidanylidene-chromen-4-yl]-2-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid

Systemtic Name: 3-[3-(2-azanyl-2-oxidanylidene-ethyl)-7-chloranyl-6-methyl-2-oxidanylidene-chromen-4-yl]-2-[4-fluoranyl-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid Openeye Name: 3-[3-(2-amino-2-oxo-ethyl)-7-chloro-6-methyl-2-oxo-chromen-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenyl-propanoic acid CAS Name: 3-[3-(2-amino-2-oxoethyl)-7-chloro-6-methyl-2-oxo-1-benzopyran-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenylpropanoic acid IUPAC Name: 3-[3-(2-amino-2-oxoethyl)-7-chloro-6-methyl-2-oxochromen-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenylpropanoic acid Traditional Name: 3-[3-(2-amino-2-keto-ethyl)-7-chloro-2-keto-6-methyl-chromen-4-yl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]-2-phenyl-propionic acid Formula: C28H20ClF4NO5 MolecularWeight: 561.908713

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)CC(=O)N)CC(C3=CC=CC=C3)(C4=C(C=C(C=C4)F)C(F)(F)F)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=C(C(=O)O2)CC(=O)N)CC(C3=CC=CC=C3)(C4=C(C=C(C=C4)F)C(F)(F)F)C(=O)O)Cl

InChI

InChI=1S/C28H20ClF4NO5/c1-14-9-17-19(18(11-24(34)35)25(36)39-23(17)12-22(14)29)13-27(26(37)38,15-5-3-2-4-6-15)20-8-7-16(30)10-21(20)28(31,32)33/h2-10,12H,11,13H2,1H3,(H2,34,35)(H,37,38)