2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[4-(4-chloranyl-3,5-dimethyl-phenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(4-chloro-3,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(4-chloro-3,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(4-chloro-3,5-dimethyl-phenoxy)butylamino]-5-methyl-benzoic acid Formula: C20H24ClNO3 MolecularWeight: 361.86246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCCOC2=CC(=C(C(=C2)C)Cl)C)C(=O)O

InChI

InChI=1S/C20H24ClNO3/c1-13-6-7-18(17(10-13)20(23)24)22-8-4-5-9-25-16-11-14(2)19(21)15(3)12-16/h6-7,10-12,22H,4-5,8-9H2,1-3H3,(H,23,24)