ethyl 3-(3-phenylisoquinolin-4-yl)prop-2-ynoate

Systemtic Name: ethyl 3-(3-phenylisoquinolin-4-yl)prop-2-ynoate Openeye Name: ethyl 3-(3-phenyl-4-isoquinolyl)prop-2-ynoate CAS Name: 3-(3-phenyl-4-isoquinolinyl)-2-propynoic acid ethyl ester IUPAC Name: ethyl 3-(3-phenylisoquinolin-4-yl)prop-2-ynoate Traditional Name: 3-(3-phenyl-4-isoquinolyl)propiolic acid ethyl ester Formula: C20H15NO2 MolecularWeight: 301.3386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15NO2/c1-2-23-19(22)13-12-18-17-11-7-6-10-16(17)14-21-20(18)15-8-4-3-5-9-15/h3-11,14H,2H2,1H3