[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-oxidanylidene-3H-phthalazine-1-carboxylate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethyl] 4-oxo-3H-phthalazine-1-carboxylate CAS Name: 4-oxo-3H-phthalazine-1-carboxylic acid [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate Traditional Name: 4-keto-3H-phthalazine-1-carboxylic acid [(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethyl] ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-3-15(16-9-5-4-6-10-16)13-23-20(26)14(2)29-22(28)19-17-11-7-8-12-18(17)21(27)25-24-19/h4-12,14-15H,3,13H2,1-2H3,(H,23,26)(H,25,27)/t14-,15+/m0/s1