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

Systemtic Name: 3-[[4-[[4-(diethylcarbamoyl)cyclohexyl]-[[4-(trifluoromethyloxy)phenyl]carbamoylamino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[4-(diethylcarbamoyl)cyclohexyl]-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[4-[diethylamino(oxo)methyl]cyclohexyl]-[[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[4-(diethylcarbamoyl)cyclohexyl]-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[4-(diethylcarbamoyl)cyclohexyl]-[[4-(trifluoromethoxy)phenyl]carbamoylamino]methyl]benzoyl]amino]propionic acid Formula: C30H37F3N4O6 MolecularWeight: 606.63319

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CCN(CC)C(=O)C1CCC(CC1)C(C2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C30H37F3N4O6/c1-3-37(4-2)28(41)22-11-7-20(8-12-22)26(19-5-9-21(10-6-19)27(40)34-18-17-25(38)39)36-29(42)35-23-13-15-24(16-14-23)43-30(31,32)33/h5-6,9-10,13-16,20,22,26H,3-4,7-8,11-12,17-18H2,1-2H3,(H,34,40)(H,38,39)(H2,35,36,42)