2-chloranyl-5-[2-(2,3-diphenylquinoxalin-6-yl)carbonyloxybutanoylamino]benzoic acid

Systemtic Name: 2-chloranyl-5-[2-(2,3-diphenylquinoxalin-6-yl)carbonyloxybutanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxybutanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(2,3-diphenyl-6-quinoxalinyl)-oxomethoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxybutanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxybutanoylamino]benzoic acid Formula: C32H24ClN3O5 MolecularWeight: 566.00306

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)O)OC(=O)C2=CC3=C(C=C2)N=C(C(=N3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H24ClN3O5/c1-2-27(30(37)34-22-14-15-24(33)23(18-22)31(38)39)41-32(40)21-13-16-25-26(17-21)36-29(20-11-7-4-8-12-20)28(35-25)19-9-5-3-6-10-19/h3-18,27H,2H2,1H3,(H,34,37)(H,38,39)