[isoquinolin-1-yl(phenyl)methyl] 4-iodanylbenzoate

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 4-iodanylbenzoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C23H16INO2 MolecularWeight: 465.28311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C(C=C1)C(C2=NC=CC3=CC=CC=C32)OC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C23H16INO2/c24-19-12-10-18(11-13-19)23(26)27-22(17-7-2-1-3-8-17)21-20-9-5-4-6-16(20)14-15-25-21/h1-15,22H