[2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[[(2-fluoroanilino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)carbamoylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(2-fluorophenyl)carbamoylamino]-2-keto-ethyl] ester Formula: C20H22ClFN2O4 MolecularWeight: 408.851083

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NC(=O)NC4=CC=CC=C4F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NC(=O)NC4=CC=CC=C4F

InChI

InChI=1S/C20H22ClFN2O4/c21-20-8-12-5-13(9-20)7-19(6-12,11-20)17(26)28-10-16(25)24-18(27)23-15-4-2-1-3-14(15)22/h1-4,12-13H,5-11H2,(H2,23,24,25,27)/t12-,13+,19?,20?