2-[4-(3,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(3,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Formula: C20H25NO3 MolecularWeight: 327.4174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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