ethyl 2-[3,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanoyl]-5-ethyl-pyrrole-1-carboxylate

Systemtic Name: ethyl 2-[3,4-bis(4-methoxyphenyl)-4-oxidanylidene-butanoyl]-5-ethyl-pyrrole-1-carboxylate Openeye Name: ethyl 2-[3,4-bis(4-methoxyphenyl)-4-oxo-butanoyl]-5-ethyl-pyrrole-1-carboxylate CAS Name: 2-[3,4-bis(4-methoxyphenyl)-1,4-dioxobutyl]-5-ethyl-1-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3,4-bis(4-methoxyphenyl)-4-oxobutanoyl]-5-ethylpyrrole-1-carboxylate Traditional Name: 2-ethyl-5-[4-keto-3,4-bis(4-methoxyphenyl)butanoyl]pyrrole-1-carboxylic acid ethyl ester Formula: C27H29NO6 MolecularWeight: 463.52226

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(N1C(=O)OCC)C(=O)CC(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCC1=CC=C(N1C(=O)OCC)C(=O)CC(C2=CC=C(C=C2)OC)C(=O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C27H29NO6/c1-5-20-11-16-24(28(20)27(31)34-6-2)25(29)17-23(18-7-12-21(32-3)13-8-18)26(30)19-9-14-22(33-4)15-10-19/h7-16,23H,5-6,17H2,1-4H3