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

Systemtic Name: 2-[4-(4-chloranyl-3-methyl-phenoxy)butylamino]-3-methyl-benzoic acid Openeye Name: 2-[4-(4-chloro-3-methyl-phenoxy)butylamino]-3-methyl-benzoic acid CAS Name: 2-[4-(4-chloro-3-methylphenoxy)butylamino]-3-methylbenzoic acid IUPAC Name: 2-[4-(4-chloro-3-methylphenoxy)butylamino]-3-methylbenzoic acid Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butylamino]-3-methyl-benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

InChI

InChI=1S/C19H22ClNO3/c1-13-6-5-7-16(19(22)23)18(13)21-10-3-4-11-24-15-8-9-17(20)14(2)12-15/h5-9,12,21H,3-4,10-11H2,1-2H3,(H,22,23)