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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCOC2=CC(=CC(=C2)C)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCOC2=CC(=CC(=C2)C)C)C(=O)O

InChI

InChI=1S/C18H21NO3/c1-12-9-13(2)11-15(10-12)22-8-7-19-17-14(3)5-4-6-16(17)18(20)21/h4-6,9-11,19H,7-8H2,1-3H3,(H,20,21)