methyl (3S)-3-(4-chlorophenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate

Systemtic Name: methyl (3S)-3-(4-chlorophenyl)-3-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]propanoate Openeye Name: methyl (3S)-3-(4-chlorophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate CAS Name: (3S)-3-(4-chlorophenyl)-3-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (3S)-3-(4-chlorophenyl)-3-[[2-(1-oxophthalazin-2-yl)acetyl]amino]propanoate Traditional Name: (3S)-3-(4-chlorophenyl)-3-[[2-(1-ketophthalazin-2-yl)acetyl]amino]propionic acid methyl ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

COC(=O)C[C@@H](C1=CC=C(C=C1)Cl)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C20H18ClN3O4/c1-28-19(26)10-17(13-6-8-15(21)9-7-13)23-18(25)12-24-20(27)16-5-3-2-4-14(16)11-22-24/h2-9,11,17H,10,12H2,1H3,(H,23,25)/t17-/m0/s1