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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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