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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(1-cyclopropyl-2,5-dimethyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-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-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-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-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2CC2)C)C=C(C#N)C(=O)OCC(=O)NC3(CCCCC3)C#N

Isomeric SMILES

CC1=CC(=C(N1C2CC2)C)/C=C(\C#N)/C(=O)OCC(=O)NC3(CCCCC3)C#N

InChI

InChI=1S/C22H26N4O3/c1-15-10-17(16(2)26(15)19-6-7-19)11-18(12-23)21(28)29-13-20(27)25-22(14-24)8-4-3-5-9-22/h10-11,19H,3-9,13H2,1-2H3,(H,25,27)/b18-11+