bis[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] pyridine-2,6-dicarboxylate

Systemtic Name: bis[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] pyridine-2,6-dicarboxylate Openeye Name: bis[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] pyridine-2,6-dicarboxylate CAS Name: pyridine-2,6-dicarboxylic acid bis[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: bis[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] pyridine-2,6-dicarboxylate Traditional Name: pyridine-2,6-dicarboxylic acid bis[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C27H31N3O6 MolecularWeight: 493.55154

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC(=CC=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC)C)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)COC(=O)C2=NC(=CC=C2)C(=O)OCC(=O)C3=C(N(C(=C3)C)CC)C)C

InChI

InChI=1S/C27H31N3O6/c1-7-29-16(3)12-20(18(29)5)24(31)14-35-26(33)22-10-9-11-23(28-22)27(34)36-15-25(32)21-13-17(4)30(8-2)19(21)6/h9-13H,7-8,14-15H2,1-6H3