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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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