[(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 1-(2-furylmethyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(2-furanylmethyl)-2,5-dimethyl-3-pyrrolecarboxylic acid [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(2-furfuryl)-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C22H21N3O4 MolecularWeight: 391.41984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CO2)C)C(=O)O[C@H](C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C22H21N3O4/c1-14-11-19(15(2)25(14)13-18-8-6-10-28-18)22(27)29-16(3)21(26)24-20-9-5-4-7-17(20)12-23/h4-11,16H,13H2,1-3H3,(H,24,26)/t16-/m1/s1