[(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [(2R)-1-[(2,4-dimethylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [(1R)-2-(2,4-dimethylanilino)-1-methyl-2-oxo-ethyl] 2-(3-methyl-4-oxo-phthalazin-1-yl)acetate CAS Name: 2-(3-methyl-4-oxo-1-phthalazinyl)acetic acid [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [(1R)-2-(2,4-dimethylanilino)-2-keto-1-methyl-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)CC2=NN(C(=O)C3=CC=CC=C32)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)[C@@H](C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C)C

InChI

InChI=1S/C22H23N3O4/c1-13-9-10-18(14(2)11-13)23-21(27)15(3)29-20(26)12-19-16-7-5-6-8-17(16)22(28)25(4)24-19/h5-11,15H,12H2,1-4H3,(H,23,27)/t15-/m1/s1