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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCNC2=CC=CC=C2C(=O)O)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCNC2=CC=CC=C2C(=O)O)Cl

InChI

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