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

Systemtic Name: [2-[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[1-(4-isopropylphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-(2,5-dimethyl-1-p-cumenyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C22H23N3O3 MolecularWeight: 377.43632

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3O3/c1-14(2)17-5-7-18(8-6-17)25-15(3)11-19(16(25)4)21(26)13-28-22(27)20-12-23-9-10-24-20/h5-12,14H,13H2,1-4H3