[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] butanoate

Systemtic Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl] butanoate Openeye Name: [2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl] butanoate CAS Name: butanoic acid [2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl] butanoate Traditional Name: butyric acid [2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)C#N

Isomeric SMILES

CCCC(=O)OCC(=O)NC1=C(C(=C(N1CC2=CC=CO2)C)C)C#N

InChI

InChI=1S/C18H21N3O4/c1-4-6-17(23)25-11-16(22)20-18-15(9-19)12(2)13(3)21(18)10-14-7-5-8-24-14/h5,7-8H,4,6,10-11H2,1-3H3,(H,20,22)