[2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate

Systemtic Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxidanylidene-ethyl] 4-(4-acetyloxyphenyl)benzoate Openeye Name: [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-oxo-ethyl] 4-(4-acetoxyphenyl)benzoate CAS Name: 4-(4-acetyloxyphenyl)benzoic acid [2-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate Traditional Name: 4-(4-acetoxyphenyl)benzoic acid [2-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C26H27NO5 MolecularWeight: 433.49628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C)C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)COC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)C)C

InChI

InChI=1S/C26H27NO5/c1-5-14-27-17(2)15-24(18(27)3)25(29)16-31-26(30)22-8-6-20(7-9-22)21-10-12-23(13-11-21)32-19(4)28/h6-13,15H,5,14,16H2,1-4H3