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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)O)C(C)(C)CC

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC=CC(=C2)C(=O)O)C(C)(C)CC

InChI

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