ethyl 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate

Systemtic Name: ethyl 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxyethanoate Openeye Name: ethyl 2-[[2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]acetate CAS Name: 2-[[2-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxyacetate Traditional Name: 2-[[1-keto-2-[2-keto-2-(4-methylpiperidino)ethyl]-5-isoquinolyl]oxy]acetic acid ethyl ester Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)COC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC(CC3)C

InChI

InChI=1S/C21H26N2O5/c1-3-27-20(25)14-28-18-6-4-5-17-16(18)9-12-23(21(17)26)13-19(24)22-10-7-15(2)8-11-22/h4-6,9,12,15H,3,7-8,10-11,13-14H2,1-2H3