2-methyl-4-[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]benzoic acid

Systemtic Name: 2-methyl-4-[1-methyl-2,4-bis(oxidanylidene)-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]benzoic acid Openeye Name: 2-methyl-4-[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]benzoic acid CAS Name: 2-methyl-4-[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)-3-quinazolinyl]benzoic acid IUPAC Name: 2-methyl-4-[1-methyl-2,4-dioxo-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]benzoic acid Traditional Name: 4-[2,4-diketo-1-methyl-6-(3-phenylprop-1-ynyl)quinazolin-3-yl]-2-methyl-benzoic acid Formula: C26H20N2O4 MolecularWeight: 424.448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CC(=C3)C#CCC4=CC=CC=C4)N(C2=O)C)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N2C(=O)C3=C(C=CC(=C3)C#CCC4=CC=CC=C4)N(C2=O)C)C(=O)O

InChI

InChI=1S/C26H20N2O4/c1-17-15-20(12-13-21(17)25(30)31)28-24(29)22-16-19(11-14-23(22)27(2)26(28)32)10-6-9-18-7-4-3-5-8-18/h3-5,7-8,11-16H,9H2,1-2H3,(H,30,31)