3-[bis(2-chloranylpropyl)amino]-4-methyl-benzoic acid

Systemtic Name: 3-[bis(2-chloranylpropyl)amino]-4-methyl-benzoic acid Openeye Name: 3-[bis(2-chloropropyl)amino]-4-methyl-benzoic acid CAS Name: 3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid IUPAC Name: 3-[bis(2-chloropropyl)amino]-4-methylbenzoic acid Traditional Name: 3-[bis(2-chloropropyl)amino]-4-methyl-benzoic acid Formula: C14H19Cl2NO2 MolecularWeight: 304.21216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)N(CC(C)Cl)CC(C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)N(CC(C)Cl)CC(C)Cl

InChI

InChI=1S/C14H19Cl2NO2/c1-9-4-5-12(14(18)19)6-13(9)17(7-10(2)15)8-11(3)16/h4-6,10-11H,7-8H2,1-3H3,(H,18,19)