1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[(4-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(4-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[(4-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(4-chlorobenzoyl)amino]-3-methyl-butyric acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C1=NC(=O)C2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C(C(=O)OC(C)C1=NC(=O)C2=CC=CC=C2N1)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O4/c1-12(2)18(25-20(27)14-8-10-15(23)11-9-14)22(29)30-13(3)19-24-17-7-5-4-6-16(17)21(28)26-19/h4-13,18H,1-3H3,(H,25,27)(H,24,26,28)