[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-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-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)O[C@H](C)C(=O)NC(=O)NC(C)(C)C)C

InChI

InChI=1S/C22H32N4O4/c1-8-9-10-26-14(2)11-17(15(26)3)12-18(13-23)20(28)30-16(4)19(27)24-21(29)25-22(5,6)7/h11-12,16H,8-10H2,1-7H3,(H2,24,25,27,29)/b18-12+/t16-/m1/s1