5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyridin-2-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyridin-2-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-[3-(2-pyridyl)anilino]ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-[3-(2-pyridinyl)anilino]ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-(3-pyridin-2-ylanilino)ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[3-(2-pyridyl)anilino]ethoxy]acetyl]amino]benzoic acid Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)C2=CC(=CC=C2)NC(=O)COCC(=O)NC3=C(C=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H18ClN3O5/c23-15-7-8-19(17(11-15)22(29)30)26-21(28)13-31-12-20(27)25-16-5-3-4-14(10-16)18-6-1-2-9-24-18/h1-11H,12-13H2,(H,25,27)(H,26,28)(H,29,30)