[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxy-3-ethoxyphenyl)-2-propenoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxy-3-ethoxy-phenyl)acrylic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H30N2O6 MolecularWeight: 406.4727

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC(=O)OC(C)C(=O)NC(=O)NCC)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C(=O)OC(C)C(=O)NC(=O)NCC)OCC

InChI

InChI=1S/C21H30N2O6/c1-5-8-13-28-17-11-9-16(14-18(17)27-7-3)10-12-19(24)29-15(4)20(25)23-21(26)22-6-2/h9-12,14-15H,5-8,13H2,1-4H3,(H2,22,23,25,26)/b12-10+