2-fluoranyl-4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]benzoic acid

Systemtic Name: 2-fluoranyl-4-[methyl-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl]amino]benzoic acid Openeye Name: 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid CAS Name: 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid IUPAC Name: 2-fluoro-4-[methyl-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl]amino]benzoic acid Traditional Name: 2-fluoro-4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-methyl-amino]benzoic acid Formula: C18H16FN3O3 MolecularWeight: 341.336343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC(=C(C=C3)C(=O)O)F

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(C)C3=CC(=C(C=C3)C(=O)O)F

InChI

InChI=1S/C18H16FN3O3/c1-10-20-16-6-3-11(7-14(16)17(23)21-10)9-22(2)12-4-5-13(18(24)25)15(19)8-12/h3-8H,9H2,1-2H3,(H,24,25)(H,20,21,23)