[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyrazine-2-carboxylate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] pyrazine-2-carboxylate CAS Name: 2-pyrazinecarboxylic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] pyrazine-2-carboxylate Traditional Name: pyrazinic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O4/c1-14-8-9-18(27-2)16(12-14)24-20(25)19(15-6-4-3-5-7-15)28-21(26)17-13-22-10-11-23-17/h3-13,19H,1-2H3,(H,24,25)/t19-/m0/s1