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

Systemtic Name: [2-[ethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-(N-ethyl-4-fluoro-anilino)-2-oxo-ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(N-ethyl-4-fluoroanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-(N-ethyl-4-fluoro-anilino)-2-keto-ethyl] ester Formula: C21H26FNO4 MolecularWeight: 375.433843

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCN(C1=CC=C(C=C1)F)C(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C21H26FNO4/c1-2-23(17-5-3-16(22)4-6-17)18(24)12-27-19(25)20-8-14-7-15(9-20)11-21(26,10-14)13-20/h3-6,14-15,26H,2,7-13H2,1H3/t14-,15+,20?,21?