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

Systemtic Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,5-dimethoxybenzoate Openeye Name: [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2,5-dimethoxybenzoate CAS Name: 2,5-dimethoxybenzoic 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] 2,5-dimethoxybenzoate Traditional Name: 2,5-dimethoxybenzoic acid [2-[1-(3,4-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-keto-ethyl] ester Formula: C25H27NO5 MolecularWeight: 421.48558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO5/c1-15-7-8-19(11-16(15)2)26-17(3)12-21(18(26)4)23(27)14-31-25(28)22-13-20(29-5)9-10-24(22)30-6/h7-13H,14H2,1-6H3