2-[[7-chloranyl-3-(2,3-dimethylphenyl)-1,2-benzoxazol-6-yl]oxy]butanoic acid

Systemtic Name: 2-[[7-chloranyl-3-(2,3-dimethylphenyl)-1,2-benzoxazol-6-yl]oxy]butanoic acid Openeye Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-1,2-benzoxazol-6-yl]oxy]butanoic acid CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-1,2-benzoxazol-6-yl]oxy]butanoic acid IUPAC Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-1,2-benzoxazol-6-yl]oxy]butanoic acid Traditional Name: 2-[7-chloro-3-(2,3-dimethylphenyl)indoxazen-6-yl]oxybutyric acid Formula: C19H18ClNO4 MolecularWeight: 359.80352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)OC1=C(C2=C(C=C1)C(=NO2)C3=C(C(=CC=C3)C)C)Cl

Isomeric SMILES

CCC(C(=O)O)OC1=C(C2=C(C=C1)C(=NO2)C3=C(C(=CC=C3)C)C)Cl

InChI

InChI=1S/C19H18ClNO4/c1-4-14(19(22)23)24-15-9-8-13-17(21-25-18(13)16(15)20)12-7-5-6-10(2)11(12)3/h5-9,14H,4H2,1-3H3,(H,22,23)