3-chloranyl-5-methyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid

Systemtic Name: 3-chloranyl-5-methyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid Openeye Name: 3-chloro-5-methyl-4-[5-(3-methylisoxazol-5-yl)pentoxy]benzoic acid CAS Name: 3-chloro-5-methyl-4-[5-(3-methyl-5-isoxazolyl)pentoxy]benzoic acid IUPAC Name: 3-chloro-5-methyl-4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid Traditional Name: 3-chloro-5-methyl-4-[5-(3-methylisoxazol-5-yl)pentoxy]benzoic acid Formula: C17H20ClNO4 MolecularWeight: 337.798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)Cl)OCCCCCC2=CC(=NO2)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)Cl)OCCCCCC2=CC(=NO2)C

InChI

InChI=1S/C17H20ClNO4/c1-11-8-13(17(20)21)10-15(18)16(11)22-7-5-3-4-6-14-9-12(2)19-23-14/h8-10H,3-7H2,1-2H3,(H,20,21)