[isoquinolin-1-yl-[2-[isoquinolin-1-yl(phenylcarbonyloxy)methyl]phenyl]methyl] benzoate

Systemtic Name: [isoquinolin-1-yl-[2-[isoquinolin-1-yl(phenylcarbonyloxy)methyl]phenyl]methyl] benzoate Openeye Name: [[2-[benzoyloxy(1-isoquinolyl)methyl]phenyl]-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [[2-[benzoyloxy(1-isoquinolinyl)methyl]phenyl]-(1-isoquinolinyl)methyl] ester IUPAC Name: [[2-[benzoyloxy(isoquinolin-1-yl)methyl]phenyl]-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [[2-[benzoyloxy(1-isoquinolyl)methyl]phenyl]-(1-isoquinolyl)methyl] ester Formula: C40H28N2O4 MolecularWeight: 600.66132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)C6=NC=CC7=CC=CC=C76

Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC(C2=CC=CC=C2C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)C6=NC=CC7=CC=CC=C76

InChI

InChI=1S/C40H28N2O4/c43-39(29-15-3-1-4-16-29)45-37(35-31-19-9-7-13-27(31)23-25-41-35)33-21-11-12-22-34(33)38(46-40(44)30-17-5-2-6-18-30)36-32-20-10-8-14-28(32)24-26-42-36/h1-26,37-38H