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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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