[2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxidanylidene-ethyl] 4-(2-methylpropoxy)benzoate Openeye Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxo-ethyl] 4-isobutoxybenzoate CAS Name: 4-(2-methylpropoxy)benzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate Traditional Name: 4-isobutoxybenzoic acid [2-[1-(1,3-benzodioxol-5-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H25NO6 MolecularWeight: 399.437

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)COC1=CC=C(C=C1)C(=O)OCC(=O)NC(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C22H25NO6/c1-14(2)11-26-18-7-4-16(5-8-18)22(25)27-12-21(24)23-15(3)17-6-9-19-20(10-17)29-13-28-19/h4-10,14-15H,11-13H2,1-3H3,(H,23,24)