methyl 3-(1-isoquinolin-4-ylprop-2-enyl)benzoate

Systemtic Name: methyl 3-(1-isoquinolin-4-ylprop-2-enyl)benzoate Openeye Name: methyl 3-[1-(4-isoquinolyl)allyl]benzoate CAS Name: 3-[1-(4-isoquinolinyl)prop-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-(1-isoquinolin-4-ylprop-2-enyl)benzoate Traditional Name: 3-[1-(4-isoquinolyl)allyl]benzoic acid methyl ester Formula: C20H17NO2 MolecularWeight: 303.35448

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)C(C=C)C2=CN=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)C(C=C)C2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C20H17NO2/c1-3-17(14-8-6-9-15(11-14)20(22)23-2)19-13-21-12-16-7-4-5-10-18(16)19/h3-13,17H,1H2,2H3