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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCNC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCNC2=CC=CC=C2C(=O)O)Cl

InChI

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