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

Systemtic Name: 5-bromanyl-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Openeye Name: 5-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid CAS Name: 5-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid IUPAC Name: 5-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Traditional Name: 5-bromo-2-[3-(3,5-dimethylphenoxy)propylamino]benzoic acid Formula: C18H20BrNO3 MolecularWeight: 378.2603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)OCCCNC2=C(C=C(C=C2)Br)C(=O)O)C

InChI

InChI=1S/C18H20BrNO3/c1-12-8-13(2)10-15(9-12)23-7-3-6-20-17-5-4-14(19)11-16(17)18(21)22/h4-5,8-11,20H,3,6-7H2,1-2H3,(H,21,22)