[2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C18H19N3O4 MolecularWeight: 341.36116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)C2=CC=C(C=C2)CCNC(=O)C

InChI

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