[2-oxidanylidene-2-(pentylamino)ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate CAS Name: 4-cyano-2-methyl-5-(1-pyrrolyl)-3-furancarboxylic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 4-cyano-2-methyl-5-pyrrol-1-ylfuran-3-carboxylate Traditional Name: 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=C(OC(=C1C#N)N2C=CC=C2)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=C(OC(=C1C#N)N2C=CC=C2)C

InChI

InChI=1S/C18H21N3O4/c1-3-4-5-8-20-15(22)12-24-18(23)16-13(2)25-17(14(16)11-19)21-9-6-7-10-21/h6-7,9-10H,3-5,8,12H2,1-2H3,(H,20,22)