2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid

Systemtic Name: 2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid CAS Name: 2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 2-[3-(2,6-dimethylphenoxy)propylamino]benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCNC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCNC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H21NO3/c1-13-7-5-8-14(2)17(13)22-12-6-11-19-16-10-4-3-9-15(16)18(20)21/h3-5,7-10,19H,6,11-12H2,1-2H3,(H,20,21)