2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 2-[3-(3,4-dimethylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 2-[3-(3,4-dimethylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Formula: C19H23NO3 MolecularWeight: 313.39082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCOC2=CC(=C(C=C2)C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCOC2=CC(=C(C=C2)C)C)C(=O)O

InChI

InChI=1S/C19H23NO3/c1-13-5-8-18(17(11-13)19(21)22)20-9-4-10-23-16-7-6-14(2)15(3)12-16/h5-8,11-12,20H,4,9-10H2,1-3H3,(H,21,22)