ethyl 2-[(3-phenylisoquinolin-4-yl)methyl]prop-2-enoate

Systemtic Name: ethyl 2-[(3-phenylisoquinolin-4-yl)methyl]prop-2-enoate Openeye Name: ethyl 2-[(3-phenyl-4-isoquinolyl)methyl]prop-2-enoate CAS Name: 2-[(3-phenyl-4-isoquinolinyl)methyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-[(3-phenylisoquinolin-4-yl)methyl]prop-2-enoate Traditional Name: 2-[(3-phenyl-4-isoquinolyl)methyl]acrylic acid ethyl ester Formula: C21H19NO2 MolecularWeight: 317.38106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C)CC1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(=C)CC1=C(N=CC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO2/c1-3-24-21(23)15(2)13-19-18-12-8-7-11-17(18)14-22-20(19)16-9-5-4-6-10-16/h4-12,14H,2-3,13H2,1H3