3-[[2-azanyl-6-(1-oxidanylhexyl)phenyl]methyl]-2-methyl-benzoic acid

Systemtic Name: 3-[[2-azanyl-6-(1-oxidanylhexyl)phenyl]methyl]-2-methyl-benzoic acid Openeye Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methyl-benzoic acid CAS Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methylbenzoic acid IUPAC Name: 3-[[2-amino-6-(1-hydroxyhexyl)phenyl]methyl]-2-methylbenzoic acid Traditional Name: 3-[2-amino-6-(1-hydroxyhexyl)benzyl]-2-methyl-benzoic acid Formula: C21H27NO3 MolecularWeight: 341.44398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=C(C(=CC=C1)N)CC2=CC=CC(=C2C)C(=O)O)O

Isomeric SMILES

CCCCCC(C1=C(C(=CC=C1)N)CC2=CC=CC(=C2C)C(=O)O)O

InChI

InChI=1S/C21H27NO3/c1-3-4-5-12-20(23)17-10-7-11-19(22)18(17)13-15-8-6-9-16(14(15)2)21(24)25/h6-11,20,23H,3-5,12-13,22H2,1-2H3,(H,24,25)