[1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl] 6-azanyl-6-fluoranyl-5-(2-oxidanylpropyl)cyclohexa-2,4-diene-1-carboxylate

Systemtic Name: [1-(cyclohexylcarbonylamino)-2-methyl-propan-2-yl] 6-azanyl-6-fluoranyl-5-(2-oxidanylpropyl)cyclohexa-2,4-diene-1-carboxylate Openeye Name: [2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl] 6-amino-6-fluoro-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylate CAS Name: 6-amino-6-fluoro-5-(2-hydroxypropyl)-1-cyclohexa-2,4-dienecarboxylic acid [1-[[cyclohexyl(oxo)methyl]amino]-2-methylpropan-2-yl] ester IUPAC Name: [1-(cyclohexanecarbonylamino)-2-methylpropan-2-yl] 6-amino-6-fluoro-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylate Traditional Name: 6-amino-6-fluoro-5-(2-hydroxypropyl)cyclohexa-2,4-diene-1-carboxylic acid [2-(cyclohexanecarbonylamino)-1,1-dimethyl-ethyl] ester Formula: C21H33FN2O4 MolecularWeight: 396.496123

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC(C1(N)F)C(=O)OC(C)(C)CNC(=O)C2CCCCC2)O

Isomeric SMILES

CC(CC1=CC=CC(C1(N)F)C(=O)OC(C)(C)CNC(=O)C2CCCCC2)O

InChI

InChI=1S/C21H33FN2O4/c1-14(25)12-16-10-7-11-17(21(16,22)23)19(27)28-20(2,3)13-24-18(26)15-8-5-4-6-9-15/h7,10-11,14-15,17,25H,4-6,8-9,12-13,23H2,1-3H3,(H,24,26)