methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propanoate

Systemtic Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(2-methylpropyl)-4-oxidanylidene-phthalazin-1-yl]carbonylamino]propanoate Openeye Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[(3-isobutyl-4-oxo-phthalazine-1-carbonyl)amino]propanoate CAS Name: (2R)-3-(4-hydroxyphenyl)-2-[[[3-(2-methylpropyl)-4-oxo-1-phthalazinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2R)-3-(4-hydroxyphenyl)-2-[[3-(2-methylpropyl)-4-oxophthalazine-1-carbonyl]amino]propanoate Traditional Name: (2R)-3-(4-hydroxyphenyl)-2-[(3-isobutyl-4-keto-phthalazine-1-carbonyl)amino]propionic acid methyl ester Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)OC

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)OC

InChI

InChI=1S/C23H25N3O5/c1-14(2)13-26-22(29)18-7-5-4-6-17(18)20(25-26)21(28)24-19(23(30)31-3)12-15-8-10-16(27)11-9-15/h4-11,14,19,27H,12-13H2,1-3H3,(H,24,28)/t19-/m1/s1