3-chloranyl-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid

Systemtic Name: 3-chloranyl-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Openeye Name: 3-chloro-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid CAS Name: 3-chloro-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid IUPAC Name: 3-chloro-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Traditional Name: 3-chloro-2-[4-(2,6-dimethylphenoxy)butylamino]benzoic acid Formula: C19H22ClNO3 MolecularWeight: 347.83588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCCCCNC2=C(C=CC=C2Cl)C(=O)O

InChI

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