4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-methyl-benzoic acid

Systemtic Name: 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-methyl-benzoic acid Openeye Name: 4-[1-(2,5-dimethyl-3-furyl)ethylamino]-3-methyl-benzoic acid CAS Name: 4-[1-(2,5-dimethyl-3-furanyl)ethylamino]-3-methylbenzoic acid IUPAC Name: 4-[1-(2,5-dimethylfuran-3-yl)ethylamino]-3-methylbenzoic acid Traditional Name: 4-[1-(2,5-dimethyl-3-furyl)ethylamino]-3-methyl-benzoic acid Formula: C16H19NO3 MolecularWeight: 273.32696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(C)NC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(O1)C)C(C)NC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C16H19NO3/c1-9-7-13(16(18)19)5-6-15(9)17-11(3)14-8-10(2)20-12(14)4/h5-8,11,17H,1-4H3,(H,18,19)