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

Systemtic Name: methyl (2S)-2-[2-(1-oxidanylidenephthalazin-2-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-(1-oxo-2-phthalazinyl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(1-oxophthalazin-2-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(1-ketophthalazin-2-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C=N2

InChI

InChI=1S/C20H19N3O4/c1-27-20(26)17(11-14-7-3-2-4-8-14)22-18(24)13-23-19(25)16-10-6-5-9-15(16)12-21-23/h2-10,12,17H,11,13H2,1H3,(H,22,24)/t17-/m0/s1