3-[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoylamino]benzoic acid

Systemtic Name: 3-[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoylamino]benzoic acid Openeye Name: 3-[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoylamino]benzoic acid CAS Name: 3-[[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[2-[2,4-bis(2,2-dimethylpropyl)phenoxy]butanoylamino]benzoic acid Traditional Name: 3-[2-(2,4-dineopentylphenoxy)butanoylamino]benzoic acid Formula: C27H37NO4 MolecularWeight: 439.58698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)CC(C)(C)C)CC(C)(C)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC(=C1)C(=O)O)OC2=C(C=C(C=C2)CC(C)(C)C)CC(C)(C)C

InChI

InChI=1S/C27H37NO4/c1-8-22(24(29)28-21-11-9-10-19(15-21)25(30)31)32-23-13-12-18(16-26(2,3)4)14-20(23)17-27(5,6)7/h9-15,22H,8,16-17H2,1-7H3,(H,28,29)(H,30,31)