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

Systemtic Name: 3-chloranyl-2-[4-(2-methylphenoxy)butylamino]benzoic acid Openeye Name: 3-chloro-2-[4-(2-methylphenoxy)butylamino]benzoic acid CAS Name: 3-chloro-2-[4-(2-methylphenoxy)butylamino]benzoic acid IUPAC Name: 3-chloro-2-[4-(2-methylphenoxy)butylamino]benzoic acid Traditional Name: 3-chloro-2-[4-(2-methylphenoxy)butylamino]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCCNC2=C(C=CC=C2Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1OCCCCNC2=C(C=CC=C2Cl)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-13-7-2-3-10-16(13)23-12-5-4-11-20-17-14(18(21)22)8-6-9-15(17)19/h2-3,6-10,20H,4-5,11-12H2,1H3,(H,21,22)