[(1S,3S)-3-[[(5-fluoranyl-2-methoxy-phenyl)carbonylamino]methyl]-3-phenyl-cyclohexyl] N-propylcarbamate

Systemtic Name: [(1S,3S)-3-[[(5-fluoranyl-2-methoxy-phenyl)carbonylamino]methyl]-3-phenyl-cyclohexyl] N-propylcarbamate Openeye Name: [(1S,3S)-3-[[(5-fluoro-2-methoxy-benzoyl)amino]methyl]-3-phenyl-cyclohexyl] N-propylcarbamate CAS Name: N-propylcarbamic acid [(1S,3S)-3-[[[(5-fluoro-2-methoxyphenyl)-oxomethyl]amino]methyl]-3-phenylcyclohexyl] ester IUPAC Name: [(1S,3S)-3-[[(5-fluoro-2-methoxybenzoyl)amino]methyl]-3-phenylcyclohexyl] N-propylcarbamate Traditional Name: N-propylcarbamic acid [(1S,3S)-3-[[(5-fluoro-2-methoxy-benzoyl)amino]methyl]-3-phenyl-cyclohexyl] ester Formula: C25H31FN2O4 MolecularWeight: 442.523043

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)OC1CCCC(C1)(CNC(=O)C2=C(C=CC(=C2)F)OC)C3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)O[C@H]1CCC[C@@](C1)(CNC(=O)C2=C(C=CC(=C2)F)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H31FN2O4/c1-3-14-27-24(30)32-20-10-7-13-25(16-20,18-8-5-4-6-9-18)17-28-23(29)21-15-19(26)11-12-22(21)31-2/h4-6,8-9,11-12,15,20H,3,7,10,13-14,16-17H2,1-2H3,(H,27,30)(H,28,29)/t20-,25+/m0/s1