(phenylmethyl) 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]benzoate

Systemtic Name: (phenylmethyl) 4-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)methyl]phenyl]benzoate Openeye Name: benzyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]benzoate CAS Name: 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]benzoate Traditional Name: 4-[3-[(4-keto-3H-phthalazin-1-yl)methyl]phenyl]benzoic acid benzyl ester Formula: C29H22N2O3 MolecularWeight: 446.49658

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C3=CC(=CC=C3)CC4=NNC(=O)C5=CC=CC=C54

InChI

InChI=1S/C29H22N2O3/c32-28-26-12-5-4-11-25(26)27(30-31-28)18-21-9-6-10-24(17-21)22-13-15-23(16-14-22)29(33)34-19-20-7-2-1-3-8-20/h1-17H,18-19H2,(H,31,32)