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

Systemtic Name: methyl 1-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxidanylidene-ethyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-[[3-cyano-1-(2-furylmethyl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-oxo-ethyl]piperidine-4-carboxylate CAS Name: 1-[2-[[3-cyano-1-(2-furanylmethyl)-4,5-dimethyl-2-pyrrolyl]amino]-2-oxoethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[[3-cyano-1-(furan-2-ylmethyl)-4,5-dimethylpyrrol-2-yl]amino]-2-oxoethyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[3-cyano-1-(2-furfuryl)-4,5-dimethyl-pyrrol-2-yl]amino]-2-keto-ethyl]isonipecotic acid methyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)OC)CC3=CC=CO3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2CCC(CC2)C(=O)OC)CC3=CC=CO3)C

InChI

InChI=1S/C21H26N4O4/c1-14-15(2)25(12-17-5-4-10-29-17)20(18(14)11-22)23-19(26)13-24-8-6-16(7-9-24)21(27)28-3/h4-5,10,16H,6-9,12-13H2,1-3H3,(H,23,26)