[2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate

Systemtic Name: [2-(cyclopropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(cyclopropylcarbamoylamino)-2-oxo-ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-[[(cyclopropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylcarbamoylamino)-2-oxoethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(cyclopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CCCCC2)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NC3CC3

Isomeric SMILES

CC1=CC(=C(N1C2CCCCC2)C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NC3CC3

InChI

InChI=1S/C22H28N4O4/c1-14-10-16(15(2)26(14)19-6-4-3-5-7-19)11-17(12-23)21(28)30-13-20(27)25-22(29)24-18-8-9-18/h10-11,18-19H,3-9,13H2,1-2H3,(H2,24,25,27,29)/b17-11+