methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoyloxy)ethanoyl]pyrrol-1-yl]benzoate

Systemtic Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoyloxy)ethanoyl]pyrrol-1-yl]benzoate Openeye Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoyloxy)acetyl]pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(1-oxo-3-phenylpropoxy)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2,5-dimethyl-3-[2-(3-phenylpropanoyloxy)acetyl]pyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-hydrocinnamoyloxyacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C25H25NO5 MolecularWeight: 419.4697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(=O)OC)C)C(=O)COC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO5/c1-17-15-22(18(2)26(17)21-12-10-20(11-13-21)25(29)30-3)23(27)16-31-24(28)14-9-19-7-5-4-6-8-19/h4-8,10-13,15H,9,14,16H2,1-3H3