(4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-(4-oxidanylidenequinazolin-3-yl)butanoate

Systemtic Name: (4-chloranyl-5-methyl-2-propan-2-yl-phenyl) 4-(4-oxidanylidenequinazolin-3-yl)butanoate Openeye Name: (4-chloro-2-isopropyl-5-methyl-phenyl) 4-(4-oxoquinazolin-3-yl)butanoate CAS Name: 4-(4-oxo-3-quinazolinyl)butanoic acid (4-chloro-5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (4-chloro-5-methyl-2-propan-2-ylphenyl) 4-(4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-ketoquinazolin-3-yl)butyric acid (4-chloro-2-isopropyl-5-methyl-phenyl) ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)C(C)C)OC(=O)CCCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23ClN2O3/c1-14(2)17-12-18(23)15(3)11-20(17)28-21(26)9-6-10-25-13-24-19-8-5-4-7-16(19)22(25)27/h4-5,7-8,11-14H,6,9-10H2,1-3H3