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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37NO4/c1-8-22(24(29)28-20-13-11-12-18(16-20)25(30)31)32-23-15-14-19(26(4,5)9-2)17-21(23)27(6,7)10-3/h11-17,22H,8-10H2,1-7H3,(H,28,29)(H,30,31)