3-bromanyl-2-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(4-chloranyl-3-methyl-phenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(4-chloro-3-methyl-phenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(4-chloro-3-methylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(4-chloro-3-methylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(4-chloro-3-methyl-phenoxy)propylamino]-5-methyl-benzoic acid Formula: C18H19BrClNO3 MolecularWeight: 412.70536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=C(C=C2)Cl)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)NCCCOC2=CC(=C(C=C2)Cl)C)Br

InChI

InChI=1S/C18H19BrClNO3/c1-11-8-14(18(22)23)17(15(19)9-11)21-6-3-7-24-13-4-5-16(20)12(2)10-13/h4-5,8-10,21H,3,6-7H2,1-2H3,(H,22,23)