3-[2-[2-(1,3-benzoxazol-2-yl)phenyl]carbonyloxybutanoylamino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[2-[2-(1,3-benzoxazol-2-yl)phenyl]carbonyloxybutanoylamino]-4-chloranyl-benzoic acid Openeye Name: 3-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-chloro-benzoic acid CAS Name: 3-[[2-[[2-(1,3-benzoxazol-2-yl)phenyl]-oxomethoxy]-1-oxobutyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-chlorobenzoic acid Traditional Name: 3-[2-[2-(1,3-benzoxazol-2-yl)benzoyl]oxybutanoylamino]-4-chloro-benzoic acid Formula: C25H19ClN2O6 MolecularWeight: 478.88116

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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=CC=CC=C2C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCC(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)OC(=O)C2=CC=CC=C2C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C25H19ClN2O6/c1-2-20(22(29)27-19-13-14(24(30)31)11-12-17(19)26)34-25(32)16-8-4-3-7-15(16)23-28-18-9-5-6-10-21(18)33-23/h3-13,20H,2H2,1H3,(H,27,29)(H,30,31)