4-[[3-methyl-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[3-methyl-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-methyl-4-(2-methyl-4-oxo-quinazolin-3-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-methyl-4-(2-methyl-4-oxo-3-quinazolinyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-methyl-4-(2-methyl-4-oxoquinazolin-3-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-(4-keto-2-methyl-quinazolin-3-yl)-3-methyl-anilino]butyric acid Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CCC(=O)O)N2C(=NC3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CCC(=O)O)N2C(=NC3=CC=CC=C3C2=O)C

InChI

InChI=1S/C20H19N3O4/c1-12-11-14(22-18(24)9-10-19(25)26)7-8-17(12)23-13(2)21-16-6-4-3-5-15(16)20(23)27/h3-8,11H,9-10H2,1-2H3,(H,22,24)(H,25,26)