2-(2-hexoxyphenyl)-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O4/c1-2-3-4-7-12-27-18-9-6-5-8-15(18)19-22-17-11-10-14(21(25)26)13-16(17)20(24)23-19/h5-6,8-11,13H,2-4,7,12H2,1H3,(H,25,26)(H,22,23,24)