methyl 3-(2-isoquinolin-4-ylethyl)benzoate

Systemtic Name: methyl 3-(2-isoquinolin-4-ylethyl)benzoate Openeye Name: methyl 3-[2-(4-isoquinolyl)ethyl]benzoate CAS Name: 3-[2-(4-isoquinolinyl)ethyl]benzoic acid methyl ester IUPAC Name: methyl 3-(2-isoquinolin-4-ylethyl)benzoate Traditional Name: 3-[2-(4-isoquinolyl)ethyl]benzoic acid methyl ester Formula: C19H17NO2 MolecularWeight: 291.34378

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CCC2=CN=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CCC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C19H17NO2/c1-22-19(21)15-7-4-5-14(11-15)9-10-17-13-20-12-16-6-2-3-8-18(16)17/h2-8,11-13H,9-10H2,1H3