[2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-(3-fluoranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-(3-fluoro-4-methoxy-phenyl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid [2-(3-fluoro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C23H28FNO5 MolecularWeight: 417.470523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC(=C(C=C1)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)C1=CC(=C(C=C1)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H28FNO5/c1-13(21(27)30-12-19(26)17-3-4-20(29-2)18(24)8-17)25-22(28)23-9-14-5-15(10-23)7-16(6-14)11-23/h3-4,8,13-16H,5-7,9-12H2,1-2H3,(H,25,28)/t13-,14?,15?,16?,23?/m0/s1