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

Systemtic Name: [2-[(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Openeye Name: [2-(2-fluoroanilino)-2-oxo-ethyl] (5S,7R)-3-phenyladamantane-1-carboxylate CAS Name: (5S,7R)-3-phenyl-1-adamantanecarboxylic acid [2-(2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-fluoroanilino)-2-oxoethyl] (5S,7R)-3-phenyladamantane-1-carboxylate Traditional Name: (5S,7R)-3-phenyladamantane-1-carboxylic acid [2-(2-fluoroanilino)-2-keto-ethyl] ester Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4F)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)C(=O)OCC(=O)NC4=CC=CC=C4F)C5=CC=CC=C5

InChI

InChI=1S/C25H26FNO3/c26-20-8-4-5-9-21(20)27-22(28)15-30-23(29)25-13-17-10-18(14-25)12-24(11-17,16-25)19-6-2-1-3-7-19/h1-9,17-18H,10-16H2,(H,27,28)/t17-,18+,24?,25?