methyl 3-(2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate

Systemtic Name: methyl 3-(2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate Openeye Name: methyl 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanoate CAS Name: 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoic acid methyl ester IUPAC Name: methyl 3-(2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoate Traditional Name: 3-(1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionic acid methyl ester Formula: C20H19NO3 MolecularWeight: 321.36976

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO3/c1-21-19(14-8-4-3-5-9-14)16(12-13-18(22)24-2)15-10-6-7-11-17(15)20(21)23/h3-11H,12-13H2,1-2H3