[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(4-cyanophenyl)prop-2-enoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(4-cyanophenyl)prop-2-enoate CAS Name: (E)-3-(4-cyanophenyl)-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-(4-cyanophenyl)prop-2-enoate Traditional Name: (E)-3-(4-cyanophenyl)acrylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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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)C#N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC(C)(C)C)OC(=O)/C=C/C1=CC=C(C=C1)C#N

InChI

InChI=1S/C18H21N3O4/c1-12(16(23)20-17(24)21-18(2,3)4)25-15(22)10-9-13-5-7-14(11-19)8-6-13/h5-10,12H,1-4H3,(H2,20,21,23,24)/b10-9+/t12-/m1/s1