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

Systemtic Name: ethyl 3-(2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate Openeye Name: ethyl 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanoate CAS Name: 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoate Traditional Name: 3-(1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionic acid ethyl ester Formula: C21H21NO3 MolecularWeight: 335.39634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(N(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCC1=C(N(C(=O)C2=CC=CC=C21)C)C3=CC=CC=C3

InChI

InChI=1S/C21H21NO3/c1-3-25-19(23)14-13-17-16-11-7-8-12-18(16)21(24)22(2)20(17)15-9-5-4-6-10-15/h4-12H,3,13-14H2,1-2H3