[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 3-chloranyl-5-ethoxy-4-propoxy-benzoate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 3-chloro-5-ethoxy-4-propoxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-propoxybenzoic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 3-chloro-5-ethoxy-4-propoxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-propoxy-benzoic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24ClNO7 MolecularWeight: 449.88146

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)C(=O)OC(C)C(=O)NC2=CC3=C(C=C2)OCO3)OCC

InChI

InChI=1S/C22H24ClNO7/c1-4-8-28-20-16(23)9-14(10-19(20)27-5-2)22(26)31-13(3)21(25)24-15-6-7-17-18(11-15)30-12-29-17/h6-7,9-11,13H,4-5,8,12H2,1-3H3,(H,24,25)