3-bromanyl-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(3,4-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCCCNC2=C(C=C(C=C2C(=O)O)C)Br)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCCCNC2=C(C=C(C=C2C(=O)O)C)Br)C

InChI

InChI=1S/C19H22BrNO3/c1-12-9-16(19(22)23)18(17(20)10-12)21-7-4-8-24-15-6-5-13(2)14(3)11-15/h5-6,9-11,21H,4,7-8H2,1-3H3,(H,22,23)