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

Systemtic Name: methyl 2,2-dimethyl-3-(4-nonoxyphenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propylamino]propanoate Openeye Name: methyl 2,2-dimethyl-3-(4-nonoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate CAS Name: 2,2-dimethyl-3-(4-nonoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-3-(4-nonoxyphenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propylamino]propanoate Traditional Name: 3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propylamino]-2,2-dimethyl-3-(4-nonoxyphenyl)propionic acid methyl ester Formula: C32H46N4O4 MolecularWeight: 550.73204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C(C(C)(C)C(=O)OC)NCCCNC2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C32H46N4O4/c1-5-6-7-8-9-10-13-23-40-25-19-17-24(18-20-25)28(32(2,3)31(38)39-4)33-21-14-22-34-29-26-15-11-12-16-27(26)30(37)36-35-29/h11-12,15-20,28,33H,5-10,13-14,21-23H2,1-4H3,(H,34,35)(H,36,37)