[1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxidanylidene-propan-2-yl] 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: [2-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-methyl-2-oxo-ethyl] 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-methoxycarbonyl-3,5-dimethyl-1H-pyrrol-2-yl)-1-oxopropan-2-yl] 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid [2-(4-carbomethoxy-3,5-dimethyl-1H-pyrrol-2-yl)-2-keto-1-methyl-ethyl] ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OC(C)C(=O)C3=C(C(=C(N3)C)C(=O)OC)C

InChI

InChI=1S/C26H31N3O6/c1-6-7-8-11-14-29-24(31)19-13-10-9-12-18(19)22(28-29)26(33)35-17(4)23(30)21-15(2)20(16(3)27-21)25(32)34-5/h9-10,12-13,17,27H,6-8,11,14H2,1-5H3