[2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[[(1R)-3-methyl-1-phenyl-butyl]amino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-keto-2-[[(1R)-3-methyl-1-phenyl-butyl]amino]ethyl] ester Formula: C19H23N3O3 MolecularWeight: 341.40422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N[C@H](CC(C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H23N3O3/c1-13(2)9-16(15-7-5-4-6-8-15)22-18(23)12-25-19(24)17-11-20-14(3)10-21-17/h4-8,10-11,13,16H,9,12H2,1-3H3,(H,22,23)/t16-/m1/s1