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

Systemtic Name: O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl] O2-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] ester O2-ethyl ester IUPAC Name: 4-O-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 2-O-ethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-ethyl ester O4-[2-keto-2-(veratrylamino)ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)OCC(=O)NCC2=CC(=C(C=C2)OC)OC)C

InChI

InChI=1S/C21H26N2O7/c1-6-29-21(26)19-12(2)18(13(3)23-19)20(25)30-11-17(24)22-10-14-7-8-15(27-4)16(9-14)28-5/h7-9,23H,6,10-11H2,1-5H3,(H,22,24)