[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(1-butyl-2,5-dimethyl-3-pyrrolyl)-2-cyano-2-propenoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(1-butyl-2,5-dimethylpyrrol-3-yl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(1-butyl-2,5-dimethyl-pyrrol-3-yl)-2-cyano-acrylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C19H27N3O3 MolecularWeight: 345.43598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CC(=C1C)C=C(C#N)C(=O)OCC(=O)NC(C)C)C

Isomeric SMILES

CCCCN1C(=CC(=C1C)/C=C(\C#N)/C(=O)OCC(=O)NC(C)C)C

InChI

InChI=1S/C19H27N3O3/c1-6-7-8-22-14(4)9-16(15(22)5)10-17(11-20)19(24)25-12-18(23)21-13(2)3/h9-10,13H,6-8,12H2,1-5H3,(H,21,23)/b17-10+