methyl 4-(isoquinolin-5-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(isoquinolin-5-ylamino)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(5-isoquinolylamino)-4-oxo-butanoate CAS Name: 4-(5-isoquinolinylamino)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(isoquinolin-5-ylamino)-4-oxobutanoate Traditional Name: 4-(5-isoquinolylamino)-4-keto-butyric acid methyl ester Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=CC2=C1C=CN=C2

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=CC2=C1C=CN=C2

InChI

InChI=1S/C14H14N2O3/c1-19-14(18)6-5-13(17)16-12-4-2-3-10-9-15-8-7-11(10)12/h2-4,7-9H,5-6H2,1H3,(H,16,17)