[2,3-bis(fluoranyl)phenyl]methyl 3-(1-adamantylcarbamoylamino)propanoate

Systemtic Name: [2,3-bis(fluoranyl)phenyl]methyl 3-(1-adamantylcarbamoylamino)propanoate Openeye Name: (2,3-difluorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]propanoic acid (2,3-difluorophenyl)methyl ester IUPAC Name: (2,3-difluorophenyl)methyl 3-(1-adamantylcarbamoylamino)propanoate Traditional Name: 3-(1-adamantylcarbamoylamino)propionic acid (2,3-difluorobenzyl) ester Formula: C21H26F2N2O3 MolecularWeight: 392.439546

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=C(C(=CC=C4)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)OCC4=C(C(=CC=C4)F)F

InChI

InChI=1S/C21H26F2N2O3/c22-17-3-1-2-16(19(17)23)12-28-18(26)4-5-24-20(27)25-21-9-13-6-14(10-21)8-15(7-13)11-21/h1-3,13-15H,4-12H2,(H2,24,25,27)