[2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 2-cyano-3-(1-isopentyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)-3-pyrrolyl]-2-propenoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-cyano-3-[2,5-dimethyl-1-(3-methylbutyl)pyrrol-3-yl]prop-2-enoate Traditional Name: 2-cyano-3-(1-isoamyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H32N4O4 MolecularWeight: 416.51388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC(=C(N1CCC(C)C)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC(C)(C)C

InChI

InChI=1S/C22H32N4O4/c1-14(2)8-9-26-15(3)10-17(16(26)4)11-18(12-23)20(28)30-13-19(27)24-21(29)25-22(5,6)7/h10-11,14H,8-9,13H2,1-7H3,(H2,24,25,27,29)