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

Systemtic Name: [2-(ethylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethylcarbamoylamino)-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-(ethylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H28N4O4 MolecularWeight: 400.47142

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)COC(=O)C(=CC1=C(N(C(=C1)C)C2CCCCC2)C)C#N

Isomeric SMILES

CCNC(=O)NC(=O)COC(=O)/C(=C/C1=C(N(C(=C1)C)C2CCCCC2)C)/C#N

InChI

InChI=1S/C21H28N4O4/c1-4-23-21(28)24-19(26)13-29-20(27)17(12-22)11-16-10-14(2)25(15(16)3)18-8-6-5-7-9-18/h10-11,18H,4-9,13H2,1-3H3,(H2,23,24,26,28)/b17-11+