(5-methyl-2-propan-2-yl-cyclohexyl) 4-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoylamino]benzoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 4-[[2,6-bis(fluoranyl)phenyl]carbonylcarbamoylamino]benzoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 4-[(2,6-difluorobenzoyl)carbamoylamino]benzoate CAS Name: 4-[[[[(2,6-difluorophenyl)-oxomethyl]amino]-oxomethyl]amino]benzoic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 4-[(2,6-difluorobenzoyl)carbamoylamino]benzoate Traditional Name: 4-[(2,6-difluorobenzoyl)carbamoylamino]benzoic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C25H28F2N2O4 MolecularWeight: 458.497626

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)C2=CC=C(C=C2)NC(=O)NC(=O)C3=C(C=CC=C3F)F)C(C)C

InChI

InChI=1S/C25H28F2N2O4/c1-14(2)18-12-7-15(3)13-21(18)33-24(31)16-8-10-17(11-9-16)28-25(32)29-23(30)22-19(26)5-4-6-20(22)27/h4-6,8-11,14-15,18,21H,7,12-13H2,1-3H3,(H2,28,29,30,32)