2-[4-(2,6-dimethylphenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCCOC2=C(C=CC=C2C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCCOC2=C(C=CC=C2C)C)C(=O)O

InChI

InChI=1S/C20H25NO3/c1-14-9-10-18(17(13-14)20(22)23)21-11-4-5-12-24-19-15(2)7-6-8-16(19)3/h6-10,13,21H,4-5,11-12H2,1-3H3,(H,22,23)