3-[[4-[(4-cyclohexylcyclohexyl)-[[3-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylcyclohexyl)-[[oxo-[3-(trifluoromethoxy)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[3-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C31H38F3N3O5 MolecularWeight: 589.64573

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC=C4)OC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC=C4)OC(F)(F)F

InChI

InChI=1S/C31H38F3N3O5/c32-31(33,34)42-26-8-4-7-25(19-26)36-30(41)37-28(22-11-9-21(10-12-22)20-5-2-1-3-6-20)23-13-15-24(16-14-23)29(40)35-18-17-27(38)39/h4,7-8,13-16,19-22,28H,1-3,5-6,9-12,17-18H2,(H,35,40)(H,38,39)(H2,36,37,41)