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

Systemtic Name: 2-[4-(4-chloranylphenoxy)butylamino]-3-methyl-benzoic acid Openeye Name: 2-[4-(4-chlorophenoxy)butylamino]-3-methyl-benzoic acid CAS Name: 2-[4-(4-chlorophenoxy)butylamino]-3-methylbenzoic acid IUPAC Name: 2-[4-(4-chlorophenoxy)butylamino]-3-methylbenzoic acid Traditional Name: 2-[4-(4-chlorophenoxy)butylamino]-3-methyl-benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1NCCCCOC2=CC=C(C=C2)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1NCCCCOC2=CC=C(C=C2)Cl)C(=O)O

InChI

InChI=1S/C18H20ClNO3/c1-13-5-4-6-16(18(21)22)17(13)20-11-2-3-12-23-15-9-7-14(19)8-10-15/h4-10,20H,2-3,11-12H2,1H3,(H,21,22)