[(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate

Systemtic Name: [(2R)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 3-(4-butyl-3-oxidanylidene-quinoxalin-2-yl)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 3-(4-butyl-3-oxo-quinoxalin-2-yl)propanoate CAS Name: 3-(4-butyl-3-oxo-2-quinoxalinyl)propanoic acid [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] 3-(4-butyl-3-oxoquinoxalin-2-yl)propanoate Traditional Name: 3-(4-butyl-3-keto-quinoxalin-2-yl)propionic acid [(1R)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)OC(C)C(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2N=C(C1=O)CCC(=O)O[C@H](C)C(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C25H28N2O4/c1-4-5-16-27-22-9-7-6-8-20(22)26-21(25(27)30)14-15-23(28)31-18(3)24(29)19-12-10-17(2)11-13-19/h6-13,18H,4-5,14-16H2,1-3H3/t18-/m1/s1