[(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(butylamino)benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(3-oxidanylidene-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(butylamino)benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(3-oxo-2,4-dihydroquinoxalin-1-yl)ethyl] 2-(butylamino)benzoate CAS Name: 2-(butylamino)benzoic acid [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(3-oxo-2,4-dihydroquinoxalin-1-yl)propan-2-yl] 2-(butylamino)benzoate Traditional Name: 2-(butylamino)benzoic acid [(1R)-2-keto-2-(3-keto-2,4-dihydroquinoxalin-1-yl)-1-methyl-ethyl] ester Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC=CC=C1C(=O)OC(C)C(=O)N2CC(=O)NC3=CC=CC=C32

Isomeric SMILES

CCCCNC1=CC=CC=C1C(=O)O[C@H](C)C(=O)N2CC(=O)NC3=CC=CC=C32

InChI

InChI=1S/C22H25N3O4/c1-3-4-13-23-17-10-6-5-9-16(17)22(28)29-15(2)21(27)25-14-20(26)24-18-11-7-8-12-19(18)25/h5-12,15,23H,3-4,13-14H2,1-2H3,(H,24,26)/t15-/m1/s1