[4-[isoquinolin-1-yl(phenylcarbonyloxy)methyl]phenyl] benzoate

Systemtic Name: [4-[isoquinolin-1-yl(phenylcarbonyloxy)methyl]phenyl] benzoate Openeye Name: [4-[benzoyloxy(1-isoquinolyl)methyl]phenyl] benzoate CAS Name: benzoic acid [4-[benzoyloxy(1-isoquinolinyl)methyl]phenyl] ester IUPAC Name: [4-[benzoyloxy(isoquinolin-1-yl)methyl]phenyl] benzoate Traditional Name: benzoic acid [4-[benzoyloxy(1-isoquinolyl)methyl]phenyl] ester Formula: C30H21NO4 MolecularWeight: 459.49204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5

InChI

InChI=1S/C30H21NO4/c32-29(23-10-3-1-4-11-23)34-25-17-15-22(16-18-25)28(35-30(33)24-12-5-2-6-13-24)27-26-14-8-7-9-21(26)19-20-31-27/h1-20,28H