(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-tert-butylphenoxy)ethanoate

Systemtic Name: (6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(2-tert-butylphenoxy)ethanoate Openeye Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-tert-butylphenoxy)acetate CAS Name: 2-(2-tert-butylphenoxy)acetic acid (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (6-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(2-tert-butylphenoxy)acetate Traditional Name: 2-(2-tert-butylphenoxy)acetic acid (6-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(=O)OCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C21H21ClN2O4/c1-21(2,3)15-6-4-5-7-17(15)27-12-19(25)28-11-18-23-16-9-8-13(22)10-14(16)20(26)24-18/h4-10H,11-12H2,1-3H3,(H,23,24,26)