methyl 4-[(E)-3-isoquinolin-4-ylprop-1-enyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/CC2=CN=CC3=CC=CC=C32

InChI

InChI=1S/C20H17NO2/c1-23-20(22)16-11-9-15(10-12-16)5-4-7-18-14-21-13-17-6-2-3-8-19(17)18/h2-6,8-14H,7H2,1H3/b5-4+