(3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C24H32FNO4 MolecularWeight: 417.513583

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC1=CC(=C(C=C1)OC)F)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H32FNO4/c1-14(2)21(22(27)30-13-15-4-5-20(29-3)19(25)9-15)26-23(28)24-10-16-6-17(11-24)8-18(7-16)12-24/h4-5,9,14,16-18,21H,6-8,10-13H2,1-3H3,(H,26,28)/t16?,17?,18?,21-,24?/m1/s1