methyl (2S)-4-methyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]pentanoate

Systemtic Name: methyl (2S)-4-methyl-2-[(4-oxidanylidene-3-phenyl-phthalazin-1-yl)carbonylamino]pentanoate Openeye Name: methyl (2S)-4-methyl-2-[(4-oxo-3-phenyl-phthalazine-1-carbonyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[oxo-(4-oxo-3-phenyl-1-phthalazinyl)methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-4-methyl-2-[(4-oxo-3-phenylphthalazine-1-carbonyl)amino]pentanoate Traditional Name: (2S)-2-[(4-keto-3-phenyl-phthalazine-1-carbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)C1=NN(C(=O)C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4/c1-14(2)13-18(22(28)29-3)23-20(26)19-16-11-7-8-12-17(16)21(27)25(24-19)15-9-5-4-6-10-15/h4-12,14,18H,13H2,1-3H3,(H,23,26)/t18-/m0/s1