methyl 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoate

Systemtic Name: methyl 3-[2-(1-oxidanylideneisoquinolin-2-yl)ethanoylamino]propanoate Openeye Name: methyl 3-[[2-(1-oxo-2-isoquinolyl)acetyl]amino]propanoate CAS Name: 3-[[1-oxo-2-(1-oxo-2-isoquinolinyl)ethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]propanoate Traditional Name: 3-[[2-(1-keto-2-isoquinolyl)acetyl]amino]propionic acid methyl ester Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

Isomeric SMILES

COC(=O)CCNC(=O)CN1C=CC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H16N2O4/c1-21-14(19)6-8-16-13(18)10-17-9-7-11-4-2-3-5-12(11)15(17)20/h2-5,7,9H,6,8,10H2,1H3,(H,16,18)