[2-[1-(furan-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate

Systemtic Name: [2-[1-(furan-2-yl)ethylamino]-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Openeye Name: [2-[1-(2-furyl)ethylamino]-2-oxo-ethyl] 3-ethoxy-4-isobutoxy-benzoate CAS Name: 3-ethoxy-4-(2-methylpropoxy)benzoic acid [2-[1-(2-furanyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(furan-2-yl)ethylamino]-2-oxoethyl] 3-ethoxy-4-(2-methylpropoxy)benzoate Traditional Name: 3-ethoxy-4-isobutoxy-benzoic acid [2-[1-(2-furyl)ethylamino]-2-keto-ethyl] ester Formula: C21H27NO6 MolecularWeight: 389.44218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CO2)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NC(C)C2=CC=CO2)OCC(C)C

InChI

InChI=1S/C21H27NO6/c1-5-25-19-11-16(8-9-18(19)27-12-14(2)3)21(24)28-13-20(23)22-15(4)17-7-6-10-26-17/h6-11,14-15H,5,12-13H2,1-4H3,(H,22,23)