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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 4-phenoxybutanoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 4-phenoxybutanoate CAS Name: 4-phenoxybutanoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 4-phenoxybutanoate Traditional Name: 4-phenoxybutyric acid [2-[1-(3,4-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=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCCOC3=CC=CC=C3)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)CCCOC3=CC=CC=C3)C)C

InChI

InChI=1S/C26H29NO4/c1-18-12-13-22(15-19(18)2)27-20(3)16-24(21(27)4)25(28)17-31-26(29)11-8-14-30-23-9-6-5-7-10-23/h5-7,9-10,12-13,15-16H,8,11,14,17H2,1-4H3