[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate

Systemtic Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl] 4-butoxy-3-ethoxy-benzoate Openeye Name: [2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl] 4-butoxy-3-ethoxy-benzoate CAS Name: 4-butoxy-3-ethoxybenzoic acid [2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate Traditional Name: 4-butoxy-3-ethoxy-benzoic acid [2-(2-furfurylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCC2=CC=CO2)OCC

InChI

InChI=1S/C21H26N2O7/c1-3-5-10-29-17-9-8-15(12-18(17)27-4-2)20(25)30-14-19(24)23-21(26)22-13-16-7-6-11-28-16/h6-9,11-12H,3-5,10,13-14H2,1-2H3,(H2,22,23,24,26)