4-[6-(furan-2-yl)hexylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[6-(furan-2-yl)hexylamino]-3-methyl-benzoic acid Openeye Name: 4-[6-(2-furyl)hexylamino]-3-methyl-benzoic acid CAS Name: 4-[6-(2-furanyl)hexylamino]-3-methylbenzoic acid IUPAC Name: 4-[6-(furan-2-yl)hexylamino]-3-methylbenzoic acid Traditional Name: 4-[6-(2-furyl)hexylamino]-3-methyl-benzoic acid Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NCCCCCCC2=CC=CO2

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NCCCCCCC2=CC=CO2

InChI

InChI=1S/C18H23NO3/c1-14-13-15(18(20)21)9-10-17(14)19-11-5-3-2-4-7-16-8-6-12-22-16/h6,8-10,12-13,19H,2-5,7,11H2,1H3,(H,20,21)