4-[[[3-(4-cyclohexylphenoxy)phenyl]methyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid

Systemtic Name: 4-[[[3-(4-cyclohexylphenoxy)phenyl]methyl-(5-oxidanyl-5-oxidanylidene-pentyl)amino]methyl]benzoic acid Openeye Name: 4-[[[3-(4-cyclohexylphenoxy)phenyl]methyl-(5-hydroxy-5-oxo-pentyl)amino]methyl]benzoic acid CAS Name: 4-[[[3-(4-cyclohexylphenoxy)phenyl]methyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid IUPAC Name: 4-[[[3-(4-cyclohexylphenoxy)phenyl]methyl-(5-hydroxy-5-oxopentyl)amino]methyl]benzoic acid Traditional Name: 4-[[[3-(4-cyclohexylphenoxy)benzyl]-(5-hydroxy-5-keto-pentyl)amino]methyl]benzoic acid Formula: C32H37NO5 MolecularWeight: 515.63988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=CC(=C3)CN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)OC3=CC=CC(=C3)CN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C32H37NO5/c34-31(35)11-4-5-20-33(22-24-12-14-28(15-13-24)32(36)37)23-25-7-6-10-30(21-25)38-29-18-16-27(17-19-29)26-8-2-1-3-9-26/h6-7,10,12-19,21,26H,1-5,8-9,11,20,22-23H2,(H,34,35)(H,36,37)