[(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[(2-propan-2-ylphenyl)amino]propan-2-yl] 2-(3-methyl-4-oxidanylidene-phthalazin-1-yl)ethanoate Openeye Name: [(1S)-2-(2-isopropylanilino)-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 [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 2-(3-methyl-4-oxophthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3-methyl-phthalazin-1-yl)acetic acid [(1S)-2-(2-isopropylanilino)-2-keto-1-methyl-ethyl] ester Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C(C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C(C)C)OC(=O)CC2=NN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C23H25N3O4/c1-14(2)16-9-7-8-12-19(16)24-22(28)15(3)30-21(27)13-20-17-10-5-6-11-18(17)23(29)26(4)25-20/h5-12,14-15H,13H2,1-4H3,(H,24,28)/t15-/m0/s1