(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C27H28N2O5 MolecularWeight: 460.52162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4C)C

InChI

InChI=1S/C27H28N2O5/c1-4-5-6-9-14-29-26(31)22-11-8-7-10-21(22)24(28-29)27(32)33-16-19-15-23(30)34-25-18(3)17(2)12-13-20(19)25/h7-8,10-13,15H,4-6,9,14,16H2,1-3H3