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

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-3-pyrrolyl)-2-propenoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)acrylic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)NC(=O)NCC(C)C

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC(=O)NC(=O)NCC(C)C

InChI

InChI=1S/C20H26N4O4/c1-12(2)10-22-20(27)23-18(25)11-28-19(26)16(9-21)8-15-7-13(3)24(14(15)4)17-5-6-17/h7-8,12,17H,5-6,10-11H2,1-4H3,(H2,22,23,25,27)/b16-8+