3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[[[3-cyano-5-(trifluoromethyl)anilino]-oxomethyl]amino]-(4-cyclohexylphenyl)methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[[3-cyano-5-(trifluoromethyl)phenyl]carbamoylamino]-(4-cyclohexylphenyl)methyl]benzoyl]amino]propionic acid Formula: C32H31F3N4O4 MolecularWeight: 592.60815

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(C3=CC=C(C=C3)C(=O)NCCC(=O)O)NC(=O)NC4=CC(=CC(=C4)C(F)(F)F)C#N

InChI

InChI=1S/C32H31F3N4O4/c33-32(34,35)26-16-20(19-36)17-27(18-26)38-31(43)39-29(23-8-6-22(7-9-23)21-4-2-1-3-5-21)24-10-12-25(13-11-24)30(42)37-15-14-28(40)41/h6-13,16-18,21,29H,1-5,14-15H2,(H,37,42)(H,40,41)(H2,38,39,43)