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3-[4-oxidanylidene-7-[3-(trifluoromethyl)pyridin-2-yl]-1H-quinazolin-2-yl]propanoic acid

3-[4-oxidanylidene-7-[3-(trifluoromethyl)pyridin-2-yl]-1H-quinazolin-2-yl]propanoic acid

Systemtic Name:3-[4-oxidanylidene-7-[3-(trifluoromethyl)pyridin-2-yl]-1H-quinazolin-2-yl]propanoic acid
Openeye Name:3-[4-oxo-7-[3-(trifluoromethyl)-2-pyridyl]-1H-quinazolin-2-yl]propanoic acid
CAS Name:3-[4-oxo-7-[3-(trifluoromethyl)-2-pyridinyl]-1H-quinazolin-2-yl]propanoic acid
IUPAC Name:3-[4-oxo-7-[3-(trifluoromethyl)pyridin-2-yl]-1H-quinazolin-2-yl]propanoic acid
Traditional Name:3-[4-keto-7-[3-(trifluoromethyl)-2-pyridyl]-1H-quinazolin-2-yl]propionic acid
Formula: C17H12F3N3O3
MolecularWeight: 363.29069
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=O)N=C(N3)CCC(=O)O)C(F)(F)F


Isomeric SMILES

C1=CC(=C(N=C1)C2=CC3=C(C=C2)C(=O)N=C(N3)CCC(=O)O)C(F)(F)F


InChI

InChI=1S/C17H12F3N3O3/c18-17(19,20)11-2-1-7-21-15(11)9-3-4-10-12(8-9)22-13(23-16(10)26)5-6-14(24)25/h1-4,7-8H,5-6H2,(H,24,25)(H,22,23,26)


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