ethyl 4-[[(2S)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-[2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoylamino]propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-[[1-oxo-2-(4-oxo-3H-phthalazin-1-yl)ethyl]amino]propyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-[[2-(4-oxo-3H-phthalazin-1-yl)acetyl]amino]propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-[[2-(4-keto-3H-phthalazin-1-yl)acetyl]amino]propanoyl]amino]benzoic acid ethyl ester Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](C)NC(=O)CC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C22H22N4O5/c1-3-31-22(30)14-8-10-15(11-9-14)24-20(28)13(2)23-19(27)12-18-16-6-4-5-7-17(16)21(29)26-25-18/h4-11,13H,3,12H2,1-2H3,(H,23,27)(H,24,28)(H,26,29)/t13-/m0/s1