ethyl 2-[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]-1-oxidanylidene-isoquinolin-5-yl]oxypropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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