2-[(Z)-1-chloranyl-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid

Systemtic Name: 2-[(Z)-1-chloranyl-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(4-isobutoxy-3-methoxy-phenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-[3-methoxy-4-(2-methylpropoxy)phenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(4-isobutoxy-3-methoxy-phenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl)OC

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl)OC

InChI

InChI=1S/C22H21ClN2O5/c1-12(2)11-30-18-7-4-13(9-19(18)29-3)8-16(23)20-24-17-10-14(22(27)28)5-6-15(17)21(26)25-20/h4-10,12H,11H2,1-3H3,(H,27,28)(H,24,25,26)/b16-8-