3-[[4-[(4-cyclohexylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]-3,4-dihydro-2H-chromen-7-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[4-(trifluoromethyloxy)phenyl]carbamoyl]amino]-3,4-dihydro-2H-chromen-7-yl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]chromane-7-carbonyl]amino]propanoic acid CAS Name: 3-[[[4-[(4-cyclohexylcyclohexyl)-[oxo-[4-(trifluoromethoxy)anilino]methyl]amino]-3,4-dihydro-2H-1-benzopyran-7-yl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]-3,4-dihydro-2H-chromene-7-carbonyl]amino]propanoic acid Traditional Name: 3-[[4-[(4-cyclohexylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]chroman-7-carbonyl]amino]propionic acid Formula: C33H40F3N3O6 MolecularWeight: 631.68241

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2CCC(CC2)N(C3CCOC4=C3C=CC(=C4)C(=O)NCCC(=O)O)C(=O)NC5=CC=C(C=C5)OC(F)(F)F

Isomeric SMILES

C1CCC(CC1)C2CCC(CC2)N(C3CCOC4=C3C=CC(=C4)C(=O)NCCC(=O)O)C(=O)NC5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C33H40F3N3O6/c34-33(35,36)45-26-13-9-24(10-14-26)38-32(43)39(25-11-6-22(7-12-25)21-4-2-1-3-5-21)28-17-19-44-29-20-23(8-15-27(28)29)31(42)37-18-16-30(40)41/h8-10,13-15,20-22,25,28H,1-7,11-12,16-19H2,(H,37,42)(H,38,43)(H,40,41)