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

Systemtic Name: [2-[1-(1-methoxypropan-2-yl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic 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] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-keto-2-[1-(2-methoxy-1-methyl-ethyl)-2,5-dimethyl-pyrrol-3-yl]ethyl] ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CC1=CC(=C(N1C(C)COC)C)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C17H21N3O4/c1-11-7-14(13(3)20(11)12(2)9-23-4)16(21)10-24-17(22)15-8-18-5-6-19-15/h5-8,12H,9-10H2,1-4H3