4-chloranyl-2-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoic acid

Systemtic Name: 4-chloranyl-2-[2-(4-cyclohexylphenoxy)ethanoylamino]benzoic acid Openeye Name: 4-chloro-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid CAS Name: 4-chloro-2-[[2-(4-cyclohexylphenoxy)-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-chloro-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid Traditional Name: 4-chloro-2-[[2-(4-cyclohexylphenoxy)acetyl]amino]benzoic acid Formula: C21H22ClNO4 MolecularWeight: 387.85668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OCC(=O)NC3=C(C=CC(=C3)Cl)C(=O)O

InChI

InChI=1S/C21H22ClNO4/c22-16-8-11-18(21(25)26)19(12-16)23-20(24)13-27-17-9-6-15(7-10-17)14-4-2-1-3-5-14/h6-12,14H,1-5,13H2,(H,23,24)(H,25,26)