2-(5-butyl-2-ethoxy-phenyl)-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-(5-butyl-2-ethoxy-phenyl)-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-(5-butyl-2-ethoxy-phenyl)-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-(5-butyl-2-ethoxyphenyl)-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-(5-butyl-2-ethoxyphenyl)-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-(5-butyl-2-ethoxy-phenyl)-4-keto-1H-quinazoline-6-carboxylic acid Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)OCC)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)OCC)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-3-5-6-13-7-10-18(27-4-2)16(11-13)19-22-17-9-8-14(21(25)26)12-15(17)20(24)23-19/h7-12H,3-6H2,1-2H3,(H,25,26)(H,22,23,24)