[4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2-phenethylbenzoate

Systemtic Name: [4-[1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] 2-phenethylbenzoate Openeye Name: [4-(1,3-dioxoisoindolin-2-yl)phenyl] 2-phenethylbenzoate CAS Name: 2-phenethylbenzoic acid [4-(1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-(1,3-dioxoisoindol-2-yl)phenyl] 2-phenethylbenzoate Traditional Name: 2-phenethylbenzoic acid (4-phthalimidophenyl) ester Formula: C29H21NO4 MolecularWeight: 447.48134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=CC=C2C(=O)OC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C29H21NO4/c31-27-25-12-6-7-13-26(25)28(32)30(27)22-16-18-23(19-17-22)34-29(33)24-11-5-4-10-21(24)15-14-20-8-2-1-3-9-20/h1-13,16-19H,14-15H2