[2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate

Systemtic Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl] 3-azanylpyrazine-2-carboxylate Openeye Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl] 3-aminopyrazine-2-carboxylate CAS Name: 3-amino-2-pyrazinecarboxylic acid [2-[1-(4-ethoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-ethoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 3-aminopyrazine-2-carboxylate Traditional Name: 3-aminopyrazinic acid [2-(2,5-dimethyl-1-p-phenetyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=NC=CN=C3N)C

Isomeric SMILES

CCOC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)COC(=O)C3=NC=CN=C3N)C

InChI

InChI=1S/C21H22N4O4/c1-4-28-16-7-5-15(6-8-16)25-13(2)11-17(14(25)3)18(26)12-29-21(27)19-20(22)24-10-9-23-19/h5-11H,4,12H2,1-3H3,(H2,22,24)