3-chloranyl-2-[3-(3,4-dimethylphenoxy)propylamino]benzoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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