[2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[(2-butan-2-ylphenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-oxo-2-(2-sec-butylanilino)ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-(2-butan-2-ylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-butan-2-ylanilino)-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-(2-sec-butylanilino)ethyl] ester Formula: C18H21N3O3 MolecularWeight: 327.37764

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CN=C(C=N2)C

Isomeric SMILES

CCC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CN=C(C=N2)C

InChI

InChI=1S/C18H21N3O3/c1-4-12(2)14-7-5-6-8-15(14)21-17(22)11-24-18(23)16-10-19-13(3)9-20-16/h5-10,12H,4,11H2,1-3H3,(H,21,22)