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

Systemtic Name: O2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl] O4-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] ester O4-methyl ester IUPAC Name: 2-O-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 4-O-methyl 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-ethyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-(homoveratrylamino)-2-keto-ethyl] ester O4-methyl ester Formula: C22H28N2O7 MolecularWeight: 432.46692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)OCC(=O)NCCC2=CC(=C(C=C2)OC)OC)C)C(=O)OC

InChI

InChI=1S/C22H28N2O7/c1-6-15-19(21(26)30-5)13(2)20(24-15)22(27)31-12-18(25)23-10-9-14-7-8-16(28-3)17(11-14)29-4/h7-8,11,24H,6,9-10,12H2,1-5H3,(H,23,25)