2-[4-(2,6-dimethylphenoxy)butylamino]-3-methyl-benzoic acid

Systemtic Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-3-methyl-benzoic acid Openeye Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-3-methyl-benzoic acid CAS Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-3-methylbenzoic acid IUPAC Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-3-methylbenzoic acid Traditional Name: 2-[4-(2,6-dimethylphenoxy)butylamino]-3-methyl-benzoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=CC=C2C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=CC=C2C)C(=O)O

InChI

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