(phenylmethyl) 3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-phenylmethoxy-propanoate

Systemtic Name: (phenylmethyl) 3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-phenylmethoxy-propanoate Openeye Name: benzyl 2-benzyloxy-3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]propanoate CAS Name: 3-[4-[2-(1-oxo-2-phthalazinyl)ethoxy]phenyl]-2-phenylmethoxypropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]-2-phenylmethoxypropanoate Traditional Name: 2-benzoxy-3-[4-[2-(1-ketophthalazin-2-yl)ethoxy]phenyl]propionic acid benzyl ester Formula: C33H30N2O5 MolecularWeight: 534.6017

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C=N3)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(CC2=CC=C(C=C2)OCCN3C(=O)C4=CC=CC=C4C=N3)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C33H30N2O5/c36-32-30-14-8-7-13-28(30)22-34-35(32)19-20-38-29-17-15-25(16-18-29)21-31(39-23-26-9-3-1-4-10-26)33(37)40-24-27-11-5-2-6-12-27/h1-18,22,31H,19-21,23-24H2