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

Systemtic Name: methyl 4-[3-(2-hexa-2,4-dienoyloxyethanoyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-(2-hexa-2,4-dienoyloxyacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 4-[2,5-dimethyl-3-[1-oxo-2-(1-oxohexa-2,4-dienoxy)ethyl]-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2-hexa-2,4-dienoyloxyacetyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 4-[3-(2-hexa-2,4-dienoyloxyacetyl)-2,5-dimethyl-pyrrol-1-yl]benzoic acid methyl ester Formula: C22H23NO5 MolecularWeight: 381.42172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC=CC=CC(=O)OCC(=O)C1=C(N(C(=C1)C)C2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C22H23NO5/c1-5-6-7-8-21(25)28-14-20(24)19-13-15(2)23(16(19)3)18-11-9-17(10-12-18)22(26)27-4/h5-13H,14H2,1-4H3