4-[4-oxidanylidene-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[4-oxidanylidene-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-isopropoxyphenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[4-oxo-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]-3-quinazolinyl]benzoic acid IUPAC Name: 4-[4-oxo-2-[(E)-2-(2-propan-2-yloxyphenyl)ethenyl]quinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(2-isopropoxyphenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C26H22N2O4 MolecularWeight: 426.46388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC=C1C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)OC1=CC=CC=C1/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H22N2O4/c1-17(2)32-23-10-6-3-7-18(23)13-16-24-27-22-9-5-4-8-21(22)25(29)28(24)20-14-11-19(12-15-20)26(30)31/h3-17H,1-2H3,(H,30,31)/b16-13+