3-azanyl-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid

Systemtic Name: 3-azanyl-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid Openeye Name: 3-amino-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoic acid CAS Name: 3-amino-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid IUPAC Name: 3-amino-4-[2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethoxy]benzoic acid Traditional Name: 3-amino-4-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]benzoic acid Formula: C23H31NO4 MolecularWeight: 385.49654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)O)N

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)C(=O)O)N

InChI

InChI=1S/C23H31NO4/c1-22(2,3)15-23(4,5)17-7-9-18(10-8-17)27-12-13-28-20-11-6-16(21(25)26)14-19(20)24/h6-11,14H,12-13,15,24H2,1-5H3,(H,25,26)