(4-phenylmethoxyphenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate

Systemtic Name: (4-phenylmethoxyphenyl) 4-oxidanylidene-3-(phenylmethyl)phthalazine-1-carboxylate Openeye Name: (4-benzyloxyphenyl) 3-benzyl-4-oxo-phthalazine-1-carboxylate CAS Name: 4-oxo-3-(phenylmethyl)-1-phthalazinecarboxylic acid (4-phenylmethoxyphenyl) ester IUPAC Name: (4-phenylmethoxyphenyl) 3-benzyl-4-oxophthalazine-1-carboxylate Traditional Name: 3-benzyl-4-keto-phthalazine-1-carboxylic acid (4-benzoxyphenyl) ester Formula: C29H22N2O4 MolecularWeight: 462.49598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)OC4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C29H22N2O4/c32-28-26-14-8-7-13-25(26)27(30-31(28)19-21-9-3-1-4-10-21)29(33)35-24-17-15-23(16-18-24)34-20-22-11-5-2-6-12-22/h1-18H,19-20H2