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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] (E)-2-cyano-3-(1-cyclohexyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)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-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] (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-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O4/c1-4-10-24-22(29)25-20(27)14-30-21(28)18(13-23)12-17-11-15(2)26(16(17)3)19-8-6-5-7-9-19/h11-12,19H,4-10,14H2,1-3H3,(H2,24,25,27,29)/b18-12+