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

Systemtic Name: 2-[2-(3,4-dimethylphenoxy)ethylamino]-3-methyl-benzoic acid Openeye Name: 2-[2-(3,4-dimethylphenoxy)ethylamino]-3-methyl-benzoic acid CAS Name: 2-[2-(3,4-dimethylphenoxy)ethylamino]-3-methylbenzoic acid IUPAC Name: 2-[2-(3,4-dimethylphenoxy)ethylamino]-3-methylbenzoic acid Traditional Name: 2-[2-(3,4-dimethylphenoxy)ethylamino]-3-methyl-benzoic acid Formula: C18H21NO3 MolecularWeight: 299.36424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCNC2=C(C=CC=C2C)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCNC2=C(C=CC=C2C)C(=O)O)C

InChI

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