[(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [(1S)-2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [(1S)-2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H21N3O3 MolecularWeight: 375.42044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CN=C(C=N3)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CN=C(C=N3)C)C

InChI

InChI=1S/C22H21N3O3/c1-14-9-15(2)11-18(10-14)25-21(26)20(17-7-5-4-6-8-17)28-22(27)19-13-23-16(3)12-24-19/h4-13,20H,1-3H3,(H,25,26)/t20-/m0/s1