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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

CCCOC1=C(C=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H24N2O5/c1-3-16-34-24-17-18(8-14-23(24)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/h4-15,17H,3,16H2,1-2H3,(H,31,32)/b15-9+