methyl 4-(1-cyano-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-(1-cyano-1H-isoquinolin-2-yl)-4-oxidanylidene-butanoate Openeye Name: methyl 4-(1-cyano-1H-isoquinolin-2-yl)-4-oxo-butanoate CAS Name: 4-(1-cyano-1H-isoquinolin-2-yl)-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-(1-cyano-1H-isoquinolin-2-yl)-4-oxobutanoate Traditional Name: 4-(1-cyano-1H-isoquinolin-2-yl)-4-keto-butyric acid methyl ester Formula: C15H14N2O3 MolecularWeight: 270.28326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)N1C=CC2=CC=CC=C2C1C#N

Isomeric SMILES

COC(=O)CCC(=O)N1C=CC2=CC=CC=C2C1C#N

InChI

InChI=1S/C15H14N2O3/c1-20-15(19)7-6-14(18)17-9-8-11-4-2-3-5-12(11)13(17)10-16/h2-5,8-9,13H,6-7H2,1H3