3-chloranyl-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid

Systemtic Name: 3-chloranyl-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 3-chloro-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid CAS Name: 3-chloro-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 3-chloro-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 3-chloro-2-[3-(2,3-dimethylphenoxy)propylamino]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCNC2=C(C=CC=C2Cl)C(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCNC2=C(C=CC=C2Cl)C(=O)O)C

InChI

InChI=1S/C18H20ClNO3/c1-12-6-3-9-16(13(12)2)23-11-5-10-20-17-14(18(21)22)7-4-8-15(17)19/h3-4,6-9,20H,5,10-11H2,1-2H3,(H,21,22)