[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] pyrazine-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2

Isomeric SMILES

CC(C)CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=NC=CN=C2

InChI

InChI=1S/C18H19N3O4/c1-12(2)9-17(23)21-14-5-3-13(4-6-14)16(22)11-25-18(24)15-10-19-7-8-20-15/h3-8,10,12H,9,11H2,1-2H3,(H,21,23)