3-chloranyl-2-[3-(4-methylphenoxy)propylamino]benzoic acid

Systemtic Name: 3-chloranyl-2-[3-(4-methylphenoxy)propylamino]benzoic acid Openeye Name: 3-chloro-2-[3-(4-methylphenoxy)propylamino]benzoic acid CAS Name: 3-chloro-2-[3-(4-methylphenoxy)propylamino]benzoic acid IUPAC Name: 3-chloro-2-[3-(4-methylphenoxy)propylamino]benzoic acid Traditional Name: 3-chloro-2-[3-(4-methylphenoxy)propylamino]benzoic acid Formula: C17H18ClNO3 MolecularWeight: 319.78272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCCNC2=C(C=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCCNC2=C(C=CC=C2Cl)C(=O)O

InChI

InChI=1S/C17H18ClNO3/c1-12-6-8-13(9-7-12)22-11-3-10-19-16-14(17(20)21)4-2-5-15(16)18/h2,4-9,19H,3,10-11H2,1H3,(H,20,21)