2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloranyl-ethenyl]-7-methoxycarbonyl-quinazolin-4-olate

Systemtic Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloranyl-ethenyl]-7-methoxycarbonyl-quinazolin-4-olate Openeye Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-7-methoxycarbonyl-quinazolin-4-olate CAS Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-7-methoxycarbonyl-4-quinazolinolate IUPAC Name: 2-[(Z)-2-(3-butoxy-4-methoxyphenyl)-1-chloroethenyl]-7-methoxycarbonylquinazolin-4-olate Traditional Name: 2-[(Z)-2-(3-butoxy-4-methoxy-phenyl)-1-chloro-vinyl]-7-carbomethoxy-quinazolin-4-olate Formula: C23H22ClN2O5- MolecularWeight: 441.88418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C=C(C2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])Cl)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(/C2=NC3=C(C=CC(=C3)C(=O)OC)C(=N2)[O-])\Cl)OC

InChI

InChI=1S/C23H23ClN2O5/c1-4-5-10-31-20-12-14(6-9-19(20)29-2)11-17(24)21-25-18-13-15(23(28)30-3)7-8-16(18)22(27)26-21/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,26,27)/p-1/b17-11-