[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)prop-2-enoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)-2-propenoic acid [(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(3-chloro-4-ethoxy-5-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-chloro-4-ethoxy-5-methoxy-phenyl)acrylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H27ClN2O6 MolecularWeight: 426.89118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C=CC(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)/C=C/C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)OC

InChI

InChI=1S/C20H27ClN2O6/c1-7-28-17-14(21)10-13(11-15(17)27-6)8-9-16(24)29-12(2)18(25)22-19(26)23-20(3,4)5/h8-12H,7H2,1-6H3,(H2,22,23,25,26)/b9-8+/t12-/m1/s1