4-[2-(1-octanoyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl)ethanoylamino]benzoic acid

Systemtic Name: 4-[2-(1-octanoyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-octanoyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[3-oxo-1-(1-oxooctyl)-2,4-dihydroquinoxalin-2-yl]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-octanoyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1-caprylyl-3-keto-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1C(C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)N1C(C(=O)NC2=CC=CC=C21)CC(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H29N3O5/c1-2-3-4-5-6-11-23(30)28-20-10-8-7-9-19(20)27-24(31)21(28)16-22(29)26-18-14-12-17(13-15-18)25(32)33/h7-10,12-15,21H,2-6,11,16H2,1H3,(H,26,29)(H,27,31)(H,32,33)