3-bromanyl-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoic acid

Systemtic Name: 3-bromanyl-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Openeye Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoic acid CAS Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methylbenzoic acid IUPAC Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methylbenzoic acid Traditional Name: 3-bromo-2-[3-(2,6-dimethylphenoxy)propylamino]-5-methyl-benzoic acid Formula: C19H22BrNO3 MolecularWeight: 392.28688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22BrNO3/c1-12-10-15(19(22)23)17(16(20)11-12)21-8-5-9-24-18-13(2)6-4-7-14(18)3/h4,6-7,10-11,21H,5,8-9H2,1-3H3,(H,22,23)