O4-ethyl O2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-ethyl O2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-ethyl ester O2-[2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

InChI

InChI=1S/C23H28N2O6/c1-6-30-22(28)20-14(4)21(24-15(20)5)23(29)31-12-18(26)16-7-9-17(10-8-16)25-19(27)11-13(2)3/h7-10,13,24H,6,11-12H2,1-5H3,(H,25,27)