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

Systemtic Name: methyl 2-[1-oxidanylidene-2-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]isoquinolin-5-yl]oxyethanoate Openeye Name: methyl 2-[[2-[2-(benzylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[1-oxo-2-[2-oxo-2-[(phenylmethyl)amino]ethyl]-5-isoquinolinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(benzylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[2-[2-(benzylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]acetic acid methyl ester Formula: C21H20N2O5 MolecularWeight: 380.3939

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O5/c1-27-20(25)14-28-18-9-5-8-17-16(18)10-11-23(21(17)26)13-19(24)22-12-15-6-3-2-4-7-15/h2-11H,12-14H2,1H3,(H,22,24)