O2-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O2-[(2R)-1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] O4-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[(1R)-2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] O4-isopropyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] ester O4-propan-2-yl ester IUPAC Name: 2-O-[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-O-propan-2-yl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[(1R)-2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester O4-isopropyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H23N3O5/c1-11(2)28-20(26)17-12(3)18(23-13(17)4)21(27)29-14(5)19(25)24-16-8-6-7-15(9-16)10-22/h6-9,11,14,23H,1-5H3,(H,24,25)/t14-/m1/s1