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

Systemtic Name: ethyl 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(4-methyl-1-piperidyl)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(4-methyl-1-piperidinyl)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[1-keto-2-[2-keto-2-(4-methylpiperidino)ethyl]-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC(CC3)C

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)N3CCC(CC3)C

InChI

InChI=1S/C22H28N2O5/c1-4-28-22(27)16(3)29-19-7-5-6-18-17(19)10-13-24(21(18)26)14-20(25)23-11-8-15(2)9-12-23/h5-7,10,13,15-16H,4,8-9,11-12,14H2,1-3H3