methyl 4-[[6-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate

Systemtic Name: methyl 4-[[6-[(3,4-dimethoxyphenyl)carbonylamino]-4-oxidanylidene-3H-phthalazin-1-yl]methyl]benzoate Openeye Name: methyl 4-[[6-[(3,4-dimethoxybenzoyl)amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoate CAS Name: 4-[[6-[[(3,4-dimethoxyphenyl)-oxomethyl]amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-[(3,4-dimethoxybenzoyl)amino]-4-oxo-3H-phthalazin-1-yl]methyl]benzoate Traditional Name: 4-[[4-keto-6-(veratroylamino)-3H-phthalazin-1-yl]methyl]benzoic acid methyl ester Formula: C26H23N3O6 MolecularWeight: 473.47732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)C(=NNC3=O)CC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C26H23N3O6/c1-33-22-11-8-17(13-23(22)34-2)24(30)27-18-9-10-19-20(14-18)25(31)29-28-21(19)12-15-4-6-16(7-5-15)26(32)35-3/h4-11,13-14H,12H2,1-3H3,(H,27,30)(H,29,31)