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

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C23H25N3O4 MolecularWeight: 407.4623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C23H25N3O4/c1-13(2)19(25-21(27)16-11-9-14(3)10-12-16)23(29)30-15(4)20-24-18-8-6-5-7-17(18)22(28)26-20/h5-13,15,19H,1-4H3,(H,25,27)(H,24,26,28)