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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl (2S)-2-[(4-methoxyphenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl (2S)-2-[(4-methoxybenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(4-methoxyphenyl)-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-[(4-methoxybenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-3-methyl-2-(p-anisoylamino)butyric acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H22ClN3O5 MolecularWeight: 443.88018

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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=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O5/c1-12(2)19(26-20(27)13-4-7-15(30-3)8-5-13)22(29)31-11-18-24-17-10-14(23)6-9-16(17)21(28)25-18/h4-10,12,19H,11H2,1-3H3,(H,26,27)(H,24,25,28)/t19-/m0/s1