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

Systemtic Name: O4-ethyl O2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-[2-(3-methylphenoxy)ethylamino]-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-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-[2-(3-methylphenoxy)ethylamino]-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-keto-2-[2-(3-methylphenoxy)ethylamino]ethyl] ester Formula: C21H26N2O6 MolecularWeight: 402.44094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCOC2=CC=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCOC2=CC=CC(=C2)C)C

InChI

InChI=1S/C21H26N2O6/c1-5-27-20(25)18-14(3)19(23-15(18)4)21(26)29-12-17(24)22-9-10-28-16-8-6-7-13(2)11-16/h6-8,11,23H,5,9-10,12H2,1-4H3,(H,22,24)