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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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