3-(decylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(decylamino)-4-methyl-benzoic acid Openeye Name: 3-(decylamino)-4-methyl-benzoic acid CAS Name: 3-(decylamino)-4-methylbenzoic acid IUPAC Name: 3-(decylamino)-4-methylbenzoic acid Traditional Name: 3-(decylamino)-4-methyl-benzoic acid Formula: C18H29NO2 MolecularWeight: 291.42836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCNC1=C(C=CC(=C1)C(=O)O)C

Isomeric SMILES

CCCCCCCCCCNC1=C(C=CC(=C1)C(=O)O)C

InChI

InChI=1S/C18H29NO2/c1-3-4-5-6-7-8-9-10-13-19-17-14-16(18(20)21)12-11-15(17)2/h11-12,14,19H,3-10,13H2,1-2H3,(H,20,21)