3-chloranyl-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid

Systemtic Name: 3-chloranyl-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid CAS Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 3-chloro-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Formula: C18H20ClNO3 MolecularWeight: 333.8093

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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