3-[4-(4-tert-butylphenoxy)butanoylamino]benzoic acid

Systemtic Name: 3-[4-(4-tert-butylphenoxy)butanoylamino]benzoic acid Openeye Name: 3-[4-(4-tert-butylphenoxy)butanoylamino]benzoic acid CAS Name: 3-[[4-(4-tert-butylphenoxy)-1-oxobutyl]amino]benzoic acid IUPAC Name: 3-[4-(4-tert-butylphenoxy)butanoylamino]benzoic acid Traditional Name: 3-[4-(4-tert-butylphenoxy)butanoylamino]benzoic acid Formula: C21H25NO4 MolecularWeight: 355.4275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4/c1-21(2,3)16-9-11-18(12-10-16)26-13-5-8-19(23)22-17-7-4-6-15(14-17)20(24)25/h4,6-7,9-12,14H,5,8,13H2,1-3H3,(H,22,23)(H,24,25)