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

Systemtic Name: [isoquinolin-1-yl(phenyl)methyl] 4-chloranylbenzoate Openeye Name: [1-isoquinolyl(phenyl)methyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [1-isoquinolinyl(phenyl)methyl] ester IUPAC Name: [isoquinolin-1-yl(phenyl)methyl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [1-isoquinolyl(phenyl)methyl] ester Formula: C23H16ClNO2 MolecularWeight: 373.83164

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H16ClNO2/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