methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(cyclohexylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(cyclohexylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCCC3

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCCC3

InChI

InChI=1S/C20H24N2O5/c1-26-19(24)13-27-17-9-5-8-16-15(17)10-11-22(20(16)25)12-18(23)21-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7,12-13H2,1H3,(H,21,23)