ethyl 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate

Systemtic Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate Openeye Name: ethyl 2-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]propanoate CAS Name: 2-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]propanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxypropanoate Traditional Name: 2-[[2-[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]propionic acid ethyl ester Formula: C23H22N2O7 MolecularWeight: 438.42998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H22N2O7/c1-3-29-23(28)14(2)32-18-6-4-5-17-16(18)9-10-25(22(17)27)12-21(26)24-15-7-8-19-20(11-15)31-13-30-19/h4-11,14H,3,12-13H2,1-2H3,(H,24,26)