4-chloranyl-3-(2-pyridin-3-ylcarbonyloxybutanoylamino)benzoic acid

Systemtic Name: 4-chloranyl-3-(2-pyridin-3-ylcarbonyloxybutanoylamino)benzoic acid Openeye Name: 4-chloro-3-[2-(pyridine-3-carbonyloxy)butanoylamino]benzoic acid CAS Name: 4-chloro-3-[[1-oxo-2-[oxo(3-pyridinyl)methoxy]butyl]amino]benzoic acid IUPAC Name: 4-chloro-3-[2-(pyridine-3-carbonyloxy)butanoylamino]benzoic acid Traditional Name: 4-chloro-3-(2-nicotinoyloxybutanoylamino)benzoic acid Formula: C17H15ClN2O5 MolecularWeight: 362.7644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CN=CC=C2

InChI

InChI=1S/C17H15ClN2O5/c1-2-14(25-17(24)11-4-3-7-19-9-11)15(21)20-13-8-10(16(22)23)5-6-12(13)18/h3-9,14H,2H2,1H3,(H,20,21)(H,22,23)