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

Systemtic Name: 2-[4-(2,5-dimethylphenoxy)butylamino]benzoic acid Openeye Name: 2-[4-(2,5-dimethylphenoxy)butylamino]benzoic acid CAS Name: 2-[4-(2,5-dimethylphenoxy)butylamino]benzoic acid IUPAC Name: 2-[4-(2,5-dimethylphenoxy)butylamino]benzoic acid Traditional Name: 2-[4-(2,5-dimethylphenoxy)butylamino]benzoic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO3/c1-14-9-10-15(2)18(13-14)23-12-6-5-11-20-17-8-4-3-7-16(17)19(21)22/h3-4,7-10,13,20H,5-6,11-12H2,1-2H3,(H,21,22)