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

Systemtic Name: 4-[2-(1-decanoyl-3-oxidanylidene-2,4-dihydroquinoxalin-2-yl)ethanoylamino]benzoic acid Openeye Name: 4-[[2-(1-decanoyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid CAS Name: 4-[[1-oxo-2-[3-oxo-1-(1-oxodecyl)-2,4-dihydroquinoxalin-2-yl]ethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1-decanoyl-3-oxo-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid Traditional Name: 4-[[2-(1-capryl-3-keto-2,4-dihydroquinoxalin-2-yl)acetyl]amino]benzoic acid Formula: C27H33N3O5 MolecularWeight: 479.56802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H33N3O5/c1-2-3-4-5-6-7-8-13-25(32)30-22-12-10-9-11-21(22)29-26(33)23(30)18-24(31)28-20-16-14-19(15-17-20)27(34)35/h9-12,14-17,23H,2-8,13,18H2,1H3,(H,28,31)(H,29,33)(H,34,35)