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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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