5-methyl-2-[3-(3-methylphenoxy)propylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCCCNC2=C(C=C(C=C2)C)C(=O)O

InChI

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