3-[[4-[[[3,5-bis(chloranyl)phenoxy]carbonyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3,5-bis(chloranyl)phenoxy]carbonyl-(4-tert-butylcyclohexyl)amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(3,5-dichlorophenoxy)carbonyl-amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[(3,5-dichlorophenoxy)-oxomethyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(3,5-dichlorophenoxy)carbonylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-(3,5-dichlorophenoxy)carbonyl-amino]methyl]benzoyl]amino]propionic acid Formula: C28H34Cl2N2O5 MolecularWeight: 549.48596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)OC3=CC(=CC(=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)OC3=CC(=CC(=C3)Cl)Cl

InChI

InChI=1S/C28H34Cl2N2O5/c1-28(2,3)20-8-10-23(11-9-20)32(27(36)37-24-15-21(29)14-22(30)16-24)17-18-4-6-19(7-5-18)26(35)31-13-12-25(33)34/h4-7,14-16,20,23H,8-13,17H2,1-3H3,(H,31,35)(H,33,34)