methyl 2-(2-isoquinolin-1-yl-3-oxidanylidene-cyclohexen-1-yl)ethanoate

Systemtic Name: methyl 2-(2-isoquinolin-1-yl-3-oxidanylidene-cyclohexen-1-yl)ethanoate Openeye Name: methyl 2-[2-(1-isoquinolyl)-3-oxo-cyclohexen-1-yl]acetate CAS Name: 2-[2-(1-isoquinolinyl)-3-oxo-1-cyclohexenyl]acetic acid methyl ester IUPAC Name: methyl 2-(2-isoquinolin-1-yl-3-oxocyclohexen-1-yl)acetate Traditional Name: 2-[2-(1-isoquinolyl)-3-keto-cyclohexen-1-yl]acetic acid methyl ester Formula: C18H17NO3 MolecularWeight: 295.33248

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(C(=O)CCC1)C2=NC=CC3=CC=CC=C32

Isomeric SMILES

COC(=O)CC1=C(C(=O)CCC1)C2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C18H17NO3/c1-22-16(21)11-13-6-4-8-15(20)17(13)18-14-7-3-2-5-12(14)9-10-19-18/h2-3,5,7,9-10H,4,6,8,11H2,1H3