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

Systemtic Name: 2-[4-(4-chloranyl-3-methyl-phenoxy)butylamino]-5-methyl-benzoic acid Openeye Name: 2-[4-(4-chloro-3-methyl-phenoxy)butylamino]-5-methyl-benzoic acid CAS Name: 2-[4-(4-chloro-3-methylphenoxy)butylamino]-5-methylbenzoic acid IUPAC Name: 2-[4-(4-chloro-3-methylphenoxy)butylamino]-5-methylbenzoic acid Traditional Name: 2-[4-(4-chloro-3-methyl-phenoxy)butylamino]-5-methyl-benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NCCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)NCCCCOC2=CC(=C(C=C2)Cl)C)C(=O)O

InChI

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