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

Systemtic Name: 3-(2-methyl-1-oxidanylidene-3-phenyl-isoquinolin-4-yl)propanoate Openeye Name: 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolyl)propanoate CAS Name: 3-(2-methyl-1-oxo-3-phenyl-4-isoquinolinyl)propanoate IUPAC Name: 3-(2-methyl-1-oxo-3-phenylisoquinolin-4-yl)propanoate Traditional Name: 3-(1-keto-2-methyl-3-phenyl-4-isoquinolyl)propionate Formula: C19H16NO3- MolecularWeight: 306.33524

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=C(C2=CC=CC=C2C1=O)CCC(=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C19H17NO3/c1-20-18(13-7-3-2-4-8-13)15(11-12-17(21)22)14-9-5-6-10-16(14)19(20)23/h2-10H,11-12H2,1H3,(H,21,22)/p-1