ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxy-2-methyl-propanoate

Systemtic Name: ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl]-1-oxidanylidene-isoquinolin-5-yl]oxy-2-methyl-propanoate Openeye Name: ethyl 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl]-1-oxo-5-isoquinolyl]oxy]-2-methyl-propanoate CAS Name: 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxo-5-isoquinolinyl]oxy]-2-methylpropanoic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-oxoisoquinolin-5-yl]oxy-2-methylpropanoate Traditional Name: 2-[[2-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-ethyl]-1-keto-5-isoquinolyl]oxy]-2-methyl-propionic acid ethyl ester Formula: C25H26N2O7 MolecularWeight: 466.48314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C(C)(C)OC1=CC=CC2=C1C=CN(C2=O)CC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H26N2O7/c1-4-31-24(30)25(2,3)34-19-7-5-6-18-17(19)10-11-27(23(18)29)15-22(28)26-16-8-9-20-21(14-16)33-13-12-32-20/h5-11,14H,4,12-13,15H2,1-3H3,(H,26,28)