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

Systemtic Name: 4-[2-[(E)-2-(3-methoxy-2-propan-2-yloxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-methoxy-2-propan-2-yloxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(2-isopropoxy-3-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C27H24N2O5 MolecularWeight: 456.48986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=CC=C1OC)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CC(C)OC1=C(C=CC=C1OC)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C27H24N2O5/c1-17(2)34-25-18(7-6-10-23(25)33-3)13-16-24-28-22-9-5-4-8-21(22)26(30)29(24)20-14-11-19(12-15-20)27(31)32/h4-17H,1-3H3,(H,31,32)/b16-13+