5-[[4-[2,2-dimethylpropyl(methyl)amino]phenoxy]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[4-[2,2-dimethylpropyl(methyl)amino]phenoxy]methyl]furan-2-carboxylic acid Openeye Name: 5-[[4-[2,2-dimethylpropyl(methyl)amino]phenoxy]methyl]furan-2-carboxylic acid CAS Name: 5-[[4-[2,2-dimethylpropyl(methyl)amino]phenoxy]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[4-[2,2-dimethylpropyl(methyl)amino]phenoxy]methyl]furan-2-carboxylic acid Traditional Name: 5-[[4-[methyl(neopentyl)amino]phenoxy]methyl]-2-furoic acid Formula: C18H23NO4 MolecularWeight: 317.37952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CN(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

Isomeric SMILES

CC(C)(C)CN(C)C1=CC=C(C=C1)OCC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C18H23NO4/c1-18(2,3)12-19(4)13-5-7-14(8-6-13)22-11-15-9-10-16(23-15)17(20)21/h5-10H,11-12H2,1-4H3,(H,20,21)