(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(3,5-dimethoxyphenyl)-oxomethyl]amino]-3-methylbutanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(3,5-dimethoxybenzoyl)amino]-3-methyl-butyric acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C23H24ClN3O6 MolecularWeight: 473.90616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)NC(=O)C3=CC(=CC(=C3)OC)OC

InChI

InChI=1S/C23H24ClN3O6/c1-12(2)20(27-21(28)13-7-15(31-3)10-16(8-13)32-4)23(30)33-11-19-25-18-9-14(24)5-6-17(18)22(29)26-19/h5-10,12,20H,11H2,1-4H3,(H,27,28)(H,25,26,29)/t20-/m0/s1