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

Systemtic Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(cyclohexylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(cyclohexylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(cyclohexylamino)-2-keto-ethyl]-1-keto-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)NC3CCCCC3

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3CCCCC3

InChI

InChI=1S/C22H28N2O5/c1-3-28-22(27)15(2)29-19-11-7-10-18-17(19)12-13-24(21(18)26)14-20(25)23-16-8-5-4-6-9-16/h7,10-13,15-16H,3-6,8-9,14H2,1-2H3,(H,23,25)