5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanyl-propoxy]-8-(2-methyl-3-oxidanylidene-heptan-4-yl)oxy-1H-quinolin-2-one

Systemtic Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanyl-propoxy]-8-(2-methyl-3-oxidanylidene-heptan-4-yl)oxy-1H-quinolin-2-one Openeye Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-hydroxy-propoxy]-8-(3-methyl-2-oxo-1-propyl-butoxy)-1H-quinolin-2-one CAS Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-hydroxypropoxy]-8-(2-methyl-3-oxoheptan-4-yl)oxy-1H-quinolin-2-one IUPAC Name: 5-[3-[2-(1,3-benzodioxol-5-yl)ethylamino]-2-hydroxypropoxy]-8-(2-methyl-3-oxoheptan-4-yl)oxy-1H-quinolin-2-one Traditional Name: 5-[3-(homopiperonylamino)-2-hydroxy-propoxy]-8-(2-keto-3-methyl-1-propyl-butoxy)carbostyril Formula: C29H36N2O7 MolecularWeight: 524.60534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)C(C)C)OC1=C2C(=C(C=C1)OCC(CNCCC3=CC4=C(C=C3)OCO4)O)C=CC(=O)N2

Isomeric SMILES

CCCC(C(=O)C(C)C)OC1=C2C(=C(C=C1)OCC(CNCCC3=CC4=C(C=C3)OCO4)O)C=CC(=O)N2

InChI

InChI=1S/C29H36N2O7/c1-4-5-25(29(34)18(2)3)38-24-10-9-22(21-7-11-27(33)31-28(21)24)35-16-20(32)15-30-13-12-19-6-8-23-26(14-19)37-17-36-23/h6-11,14,18,20,25,30,32H,4-5,12-13,15-17H2,1-3H3,(H,31,33)