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

Systemtic Name: 4-[2-[(E)-2-(3-methoxy-4-prop-2-enoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-methoxy-4-prop-2-enoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(4-allyloxy-3-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OCC=C

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OCC=C

InChI

InChI=1S/C27H22N2O5/c1-3-16-34-23-14-8-18(17-24(23)33-2)9-15-25-28-22-7-5-4-6-21(22)26(30)29(25)20-12-10-19(11-13-20)27(31)32/h3-15,17H,1,16H2,2H3,(H,31,32)/b15-9+