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

Systemtic Name: [(2S)-1-[(4-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1H-quinazolin-2-yl)propanoate Openeye Name: [(1S)-1-methyl-2-(4-methylanilino)-2-oxo-ethyl] 3-(4-oxo-1H-quinazolin-2-yl)propanoate CAS Name: 3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylanilino)-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-keto-1-methyl-2-(p-toluidino)ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-13-7-9-15(10-8-13)22-20(26)14(2)28-19(25)12-11-18-23-17-6-4-3-5-16(17)21(27)24-18/h3-10,14H,11-12H2,1-2H3,(H,22,26)(H,23,24,27)/t14-/m0/s1