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

Systemtic Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 4-cyano-2-methyl-5-pyrrol-1-yl-furan-3-carboxylate Openeye Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxo-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-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 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-keto-2-[methyl-(4-methylcyclohexyl)amino]ethyl] ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

Isomeric SMILES

CC1CCC(CC1)N(C)C(=O)COC(=O)C2=C(OC(=C2C#N)N3C=CC=C3)C

InChI

InChI=1S/C21H25N3O4/c1-14-6-8-16(9-7-14)23(3)18(25)13-27-21(26)19-15(2)28-20(17(19)12-22)24-10-4-5-11-24/h4-5,10-11,14,16H,6-9,13H2,1-3H3