methyl 3-(3-ethoxy-2-oxidanyl-phenyl)-2,2-dimethyl-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate

Systemtic Name: methyl 3-(3-ethoxy-2-oxidanyl-phenyl)-2,2-dimethyl-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate Openeye Name: methyl 3-(3-ethoxy-2-hydroxy-phenyl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate CAS Name: 3-(3-ethoxy-2-hydroxyphenyl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoic acid methyl ester IUPAC Name: methyl 3-(3-ethoxy-2-hydroxyphenyl)-2,2-dimethyl-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate Traditional Name: 3-(3-ethoxy-2-hydroxy-phenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]-2,2-dimethyl-propionic acid methyl ester Formula: C25H32N4O5 MolecularWeight: 468.54538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1O)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCOC1=CC=CC(=C1O)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C25H32N4O5/c1-5-34-19-13-8-12-18(20(19)30)21(25(2,3)24(32)33-4)26-14-9-15-27-22-16-10-6-7-11-17(16)23(31)29-28-22/h6-8,10-13,21,26,30H,5,9,14-15H2,1-4H3,(H,27,28)(H,29,31)