[2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate

Systemtic Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 2,3-dimethylbenzoate Openeye Name: [2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 2,3-dimethylbenzoate CAS Name: 2,3-dimethylbenzoic acid [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2,3-dimethylbenzoate Traditional Name: 2,3-dimethylbenzoic acid [2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C21H27NO4 MolecularWeight: 357.44338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)COC)C

Isomeric SMILES

CC1=CC=CC(=C1C)C(=O)OCC(=O)C2=C(N(C(=C2)C)C(C)COC)C

InChI

InChI=1S/C21H27NO4/c1-13-8-7-9-18(16(13)4)21(24)26-12-20(23)19-10-14(2)22(17(19)5)15(3)11-25-6/h7-10,15H,11-12H2,1-6H3