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

Systemtic Name: [isoquinolin-1-yl-[4-[isoquinolin-1-yl(phenylcarbonyloxy)methyl]phenyl]methyl] benzoate Openeye Name: [[4-[benzoyloxy(1-isoquinolyl)methyl]phenyl]-(1-isoquinolyl)methyl] benzoate CAS Name: benzoic acid [[4-[benzoyloxy(1-isoquinolinyl)methyl]phenyl]-(1-isoquinolinyl)methyl] ester IUPAC Name: [[4-[benzoyloxy(isoquinolin-1-yl)methyl]phenyl]-isoquinolin-1-ylmethyl] benzoate Traditional Name: benzoic acid [[4-[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=C(C=C2)C(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=C(C=C2)C(C3=NC=CC4=CC=CC=C43)OC(=O)C5=CC=CC=C5)C6=NC=CC7=CC=CC=C76

InChI

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