[2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate

Systemtic Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-(4-methylphenoxy)propanoate Openeye Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-(4-methylphenoxy)propanoate CAS Name: 3-(4-methylphenoxy)propanoic acid [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,5-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-(4-methylphenoxy)propanoate Traditional Name: 3-(4-methylphenoxy)propionic acid [2-[1-(3,5-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C26H29NO4 MolecularWeight: 419.51276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)OCCC(=O)OCC(=O)C2=C(N(C(=C2)C)C3=CC(=CC(=C3)C)C)C

InChI

InChI=1S/C26H29NO4/c1-17-6-8-23(9-7-17)30-11-10-26(29)31-16-25(28)24-15-20(4)27(21(24)5)22-13-18(2)12-19(3)14-22/h6-9,12-15H,10-11,16H2,1-5H3