[(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [(1R)-2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: (E)-2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [(2R)-1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(4-methoxyphenyl)acrylic acid [(1R)-2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)C(=CC2=CC=C(C=C2)OC)C#N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC1CCCCC1)OC(=O)/C(=C/C2=CC=C(C=C2)OC)/C#N

InChI

InChI=1S/C21H25N3O5/c1-14(19(25)24-21(27)23-17-6-4-3-5-7-17)29-20(26)16(13-22)12-15-8-10-18(28-2)11-9-15/h8-12,14,17H,3-7H2,1-2H3,(H2,23,24,25,27)/b16-12+/t14-/m1/s1