(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-pentyl-phthalazine-1-carboxylate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 4-oxo-3-pentyl-phthalazine-1-carboxylate CAS Name: 4-oxo-3-pentyl-1-phthalazinecarboxylic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 4-oxo-3-pentylphthalazine-1-carboxylate Traditional Name: 3-amyl-4-keto-phthalazine-1-carboxylic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C26H26N2O5 MolecularWeight: 446.49504

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)C)C

InChI

InChI=1S/C26H26N2O5/c1-4-5-8-11-28-25(30)20-10-7-6-9-19(20)24(27-28)26(31)32-15-18-14-23(29)33-22-13-17(3)16(2)12-21(18)22/h6-7,9-10,12-14H,4-5,8,11,15H2,1-3H3