4-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-chloranyl-5-ethoxy-4-methoxy-phenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid Openeye Name: 4-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxy-phenyl)vinyl]-4-oxo-quinazolin-3-yl]benzoic acid CAS Name: 4-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-oxo-3-quinazolinyl]benzoic acid IUPAC Name: 4-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxyphenyl)ethenyl]-4-oxoquinazolin-3-yl]benzoic acid Traditional Name: 4-[2-[(E)-2-(3-chloro-5-ethoxy-4-methoxy-phenyl)vinyl]-4-keto-quinazolin-3-yl]benzoic acid Formula: C26H21ClN2O5 MolecularWeight: 476.90834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=CC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Cl)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C/C2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(=O)O)Cl)OC

InChI

InChI=1S/C26H21ClN2O5/c1-3-34-22-15-16(14-20(27)24(22)33-2)8-13-23-28-21-7-5-4-6-19(21)25(30)29(23)18-11-9-17(10-12-18)26(31)32/h4-15H,3H2,1-2H3,(H,31,32)/b13-8+