2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid

Systemtic Name: 2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid CAS Name: 2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 2-[3-(2,5-dimethylphenoxy)propylamino]benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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