2-[2,5-di(propan-2-yloxy)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[2,5-di(propan-2-yloxy)phenyl]-4-oxidanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-(2,5-diisopropoxyphenyl)-4-oxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[2,5-di(propan-2-yloxy)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[2,5-di(propan-2-yloxy)phenyl]-4-oxo-1H-quinazoline-6-carboxylic acid Traditional Name: 2-(2,5-diisopropoxyphenyl)-4-keto-1H-quinazoline-6-carboxylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC(=C(C=C1)OC(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)OC1=CC(=C(C=C1)OC(C)C)C2=NC(=O)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C21H22N2O5/c1-11(2)27-14-6-8-18(28-12(3)4)16(10-14)19-22-17-7-5-13(21(25)26)9-15(17)20(24)23-19/h5-12H,1-4H3,(H,25,26)(H,22,23,24)