[1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate

Systemtic Name: [1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate Openeye Name: [2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-2-propenoic acid [1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-(cyanomethoxy)-3-methoxy-phenyl]acrylic acid [2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N3O6 MolecularWeight: 403.429

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)C=CC1=CC(=C(C=C1)OCC#N)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC(=C(C=C1)OCC#N)OC

InChI

InChI=1S/C20H25N3O6/c1-13(18(25)22-19(26)23-20(2,3)4)29-17(24)9-7-14-6-8-15(28-11-10-21)16(12-14)27-5/h6-9,12-13H,11H2,1-5H3,(H2,22,23,25,26)/b9-7+