ethyl 5-[2-(4-butoxyphenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-(4-butoxyphenyl)carbonyloxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-(4-butoxybenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(4-butoxyphenyl)-oxomethoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-(4-butoxybenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-(4-butoxybenzoyl)oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H27NO6 MolecularWeight: 401.45288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)OCC(=O)C2=C(C(=C(N2)C)C(=O)OCC)C

InChI

InChI=1S/C22H27NO6/c1-5-7-12-28-17-10-8-16(9-11-17)21(25)29-13-18(24)20-14(3)19(15(4)23-20)22(26)27-6-2/h8-11,23H,5-7,12-13H2,1-4H3