[(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(4-oxidanylidene-1H-quinazolin-2-yl)butanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate CAS Name: 4-(4-oxo-1H-quinazolin-2-yl)butanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(4-oxo-1H-quinazolin-2-yl)butanoate Traditional Name: 4-(4-keto-1H-quinazolin-2-yl)butyric acid [(1S)-2-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)CCCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C22H23N3O4/c1-14-10-12-16(13-11-14)23-21(27)15(2)29-20(26)9-5-8-19-24-18-7-4-3-6-17(18)22(28)25-19/h3-4,6-7,10-13,15H,5,8-9H2,1-2H3,(H,23,27)(H,24,25,28)/t15-/m0/s1