(2-methoxy-5-methyl-phenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (2-methoxy-5-methyl-phenyl)methyl 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (2-methoxy-5-methyl-phenyl)methyl 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (2-methoxy-5-methylphenyl)methyl ester IUPAC Name: (2-methoxy-5-methylphenyl)methyl 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (2-methoxy-5-methyl-benzyl) ester Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4/c1-17-12-13-22(30-2)19(14-17)16-31-25(29)23-20-10-6-7-11-21(20)24(28)27(26-23)15-18-8-4-3-5-9-18/h3-14H,15-16H2,1-2H3