(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3-hexyl-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-hexyl-4-oxo-phthalazine-1-carboxylate CAS Name: 3-hexyl-4-oxo-1-phthalazinecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 3-hexyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-hexyl-4-keto-phthalazine-1-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C29H26N2O5/c1-2-3-4-9-16-31-28(33)23-13-8-7-12-22(23)27(30-31)29(34)35-18-20-17-25(32)36-24-15-14-19-10-5-6-11-21(19)26(20)24/h5-8,10-15,17H,2-4,9,16,18H2,1H3