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

Systemtic Name: [2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-bromanyladamantane-1-carboxylate Openeye Name: [2-(4-fluoroanilino)-2-oxo-ethyl] (5S,7R)-3-bromoadamantane-1-carboxylate CAS Name: (5S,7R)-3-bromo-1-adamantanecarboxylic acid [2-(4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-fluoroanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate Traditional Name: (5S,7R)-3-bromoadamantane-1-carboxylic acid [2-(4-fluoroanilino)-2-keto-ethyl] ester Formula: C19H21BrFNO3 MolecularWeight: 410.277343

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)C(=O)OCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C19H21BrFNO3/c20-19-8-12-5-13(9-19)7-18(6-12,11-19)17(24)25-10-16(23)22-15-3-1-14(21)2-4-15/h1-4,12-13H,5-11H2,(H,22,23)/t12-,13+,18?,19?