[(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate

Systemtic Name: [(2S)-1-[(2,6-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1S)-2-(2,6-dimethylanilino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-1H-quinazolin-2-yl)propionic acid [(1S)-2-(2,6-dimethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)C(C)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)[C@H](C)OC(=O)CCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O4/c1-13-7-6-8-14(2)20(13)25-21(27)15(3)29-19(26)12-11-18-23-17-10-5-4-9-16(17)22(28)24-18/h4-10,15H,11-12H2,1-3H3,(H,25,27)(H,23,24,28)/t15-/m0/s1