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

Systemtic Name: 2-chloranyl-5-[2-(2,3-diphenylquinoxalin-6-yl)carbonyloxypropanoylamino]benzoic acid Openeye Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxypropanoylamino]benzoic acid CAS Name: 2-chloro-5-[[2-[(2,3-diphenyl-6-quinoxalinyl)-oxomethoxy]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxypropanoylamino]benzoic acid Traditional Name: 2-chloro-5-[2-(2,3-diphenylquinoxaline-6-carbonyl)oxypropanoylamino]benzoic acid Formula: C31H22ClN3O5 MolecularWeight: 551.97648

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Descriptors Computed from Structure

Canonical SMILES:

CC(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

CC(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/C31H22ClN3O5/c1-18(29(36)33-22-13-14-24(32)23(17-22)30(37)38)40-31(39)21-12-15-25-26(16-21)35-28(20-10-6-3-7-11-20)27(34-25)19-8-4-2-5-9-19/h2-18H,1H3,(H,33,36)(H,37,38)