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

Systemtic Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(2,5-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=C(C=CC(=C2)C)C)C(=O)O

Isomeric SMILES

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

InChI

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