5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyridin-4-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[2-[2-oxidanylidene-2-[(3-pyridin-4-ylphenyl)amino]ethoxy]ethanoylamino]benzoic acid Openeye Name: 5-chloro-2-[[2-[2-oxo-2-[3-(4-pyridyl)anilino]ethoxy]acetyl]amino]benzoic acid CAS Name: 5-chloro-2-[[1-oxo-2-[2-oxo-2-(3-pyridin-4-ylanilino)ethoxy]ethyl]amino]benzoic acid IUPAC Name: 5-chloro-2-[[2-[2-oxo-2-(3-pyridin-4-ylanilino)ethoxy]acetyl]amino]benzoic acid Traditional Name: 5-chloro-2-[[2-[2-keto-2-[3-(4-pyridyl)anilino]ethoxy]acetyl]amino]benzoic acid Formula: C22H18ClN3O5 MolecularWeight: 439.84842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)COCC(=O)NC2=C(C=C(C=C2)Cl)C(=O)O)C3=CC=NC=C3

InChI

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