[2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC(=O)C3=CN=C(C=N3)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)C(C)C)C)C(=O)COC(=O)C3=CN=C(C=N3)C

InChI

InChI=1S/C23H25N3O3/c1-14(2)18-6-8-19(9-7-18)26-16(4)10-20(17(26)5)22(27)13-29-23(28)21-12-24-15(3)11-25-21/h6-12,14H,13H2,1-5H3