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

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-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-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-keto-7,8-dimethyl-chromen-4-yl)methyl ester Formula: C28H22N2O5 MolecularWeight: 466.48468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)COC(=O)C3=NN(C(=O)C4=CC=CC=C43)CC5=CC=CC=C5)C

InChI

InChI=1S/C28H22N2O5/c1-17-12-13-21-20(14-24(31)35-26(21)18(17)2)16-34-28(33)25-22-10-6-7-11-23(22)27(32)30(29-25)15-19-8-4-3-5-9-19/h3-14H,15-16H2,1-2H3