4-[[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-[4-(2-methylbutan-2-yl)phenoxy]ethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[4-(1,1-dimethylpropyl)phenoxy]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-[4-(2-methylbutan-2-yl)phenoxy]acetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(4-tert-amylphenoxy)acetyl]amino]methyl]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OCC(=O)NCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C21H25NO4/c1-4-21(2,3)17-9-11-18(12-10-17)26-14-19(23)22-13-15-5-7-16(8-6-15)20(24)25/h5-12H,4,13-14H2,1-3H3,(H,22,23)(H,24,25)