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

Systemtic Name: 2-[(Z)-1-chloranyl-2-[4-(3-methylbutoxy)phenyl]ethenyl]-4-oxidanylidene-1H-quinazoline-7-carboxylic acid Openeye Name: 2-[(Z)-1-chloro-2-(4-isopentyloxyphenyl)vinyl]-4-oxo-1H-quinazoline-7-carboxylic acid CAS Name: 2-[(Z)-1-chloro-2-[4-(3-methylbutoxy)phenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid IUPAC Name: 2-[(Z)-1-chloro-2-[4-(3-methylbutoxy)phenyl]ethenyl]-4-oxo-1H-quinazoline-7-carboxylic acid Traditional Name: 2-[(Z)-1-chloro-2-(4-isoamoxyphenyl)vinyl]-4-keto-1H-quinazoline-7-carboxylic acid Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C=C(C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)Cl

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)/C=C(/C2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)O)\Cl

InChI

InChI=1S/C22H21ClN2O4/c1-13(2)9-10-29-16-6-3-14(4-7-16)11-18(23)20-24-19-12-15(22(27)28)5-8-17(19)21(26)25-20/h3-8,11-13H,9-10H2,1-2H3,(H,27,28)(H,24,25,26)/b18-11-