[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C20H23ClFNO3 MolecularWeight: 379.852923

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C20H23ClFNO3/c21-20-8-14-5-15(9-20)7-19(6-14,12-20)18(25)26-11-17(24)23-10-13-1-3-16(22)4-2-13/h1-4,14-15H,5-12H2,(H,23,24)/t14-,15+,19?,20?