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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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