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

Systemtic Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: [2-[(2-fluorophenyl)methyl-methyl-amino]-2-oxo-ethyl] (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl] (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid [2-[(2-fluorobenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25ClFNO3 MolecularWeight: 393.879503

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1F)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CN(CC1=CC=CC=C1F)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)Cl

InChI

InChI=1S/C21H25ClFNO3/c1-24(11-16-4-2-3-5-17(16)23)18(25)12-27-19(26)20-7-14-6-15(8-20)10-21(22,9-14)13-20/h2-5,14-15H,6-13H2,1H3/t14-,15+,20?,21?