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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)prop-2-enoate CAS Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-propenoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (E)-2-cyano-3-(2,5-dimethyl-1-propylpyrrol-3-yl)prop-2-enoate Traditional Name: (E)-2-cyano-3-(2,5-dimethyl-1-propyl-pyrrol-3-yl)acrylic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC2(CCCC2)C#N)C

Isomeric SMILES

CCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC2(CCCC2)C#N)C

InChI

InChI=1S/C21H26N4O3/c1-4-9-25-15(2)10-17(16(25)3)11-18(12-22)20(27)28-13-19(26)24-21(14-23)7-5-6-8-21/h10-11H,4-9,13H2,1-3H3,(H,24,26)/b18-11+