2-(4-fluoranylphenoxy)ethyl (2S)-2-(1-adamantylcarbonylamino)propanoate

Systemtic Name: 2-(4-fluoranylphenoxy)ethyl (2S)-2-(1-adamantylcarbonylamino)propanoate Openeye Name: 2-(4-fluorophenoxy)ethyl (2S)-2-(adamantane-1-carbonylamino)propanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]propanoic acid 2-(4-fluorophenoxy)ethyl ester IUPAC Name: 2-(4-fluorophenoxy)ethyl (2S)-2-(adamantane-1-carbonylamino)propanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)propionic acid 2-(4-fluorophenoxy)ethyl ester Formula: C22H28FNO4 MolecularWeight: 389.460423

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCCOC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

C[C@@H](C(=O)OCCOC1=CC=C(C=C1)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C22H28FNO4/c1-14(20(25)28-7-6-27-19-4-2-18(23)3-5-19)24-21(26)22-11-15-8-16(12-22)10-17(9-15)13-22/h2-5,14-17H,6-13H2,1H3,(H,24,26)/t14-,15?,16?,17?,22?/m0/s1