4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenoxy]butanoic acid Openeye Name: 4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenoxy]butanoic acid CAS Name: 4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenoxy]butanoic acid Traditional Name: 4-[4-[[(4-tert-butylcyclohexyl)-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]amino]methyl]phenoxy]butyric acid Formula: C29H36ClF3N2O4 MolecularWeight: 569.05535

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)OCCCC(=O)O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)OCCCC(=O)O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C29H36ClF3N2O4/c1-28(2,3)20-8-11-22(12-9-20)35(18-19-6-13-23(14-7-19)39-16-4-5-26(36)37)27(38)34-21-10-15-25(30)24(17-21)29(31,32)33/h6-7,10,13-15,17,20,22H,4-5,8-9,11-12,16,18H2,1-3H3,(H,34,38)(H,36,37)