[2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(3-fluorophenyl)-2-oxidanylidene-ethyl] (2S)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(3-fluorophenyl)-2-oxo-ethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(3-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-fluorophenyl)-2-oxoethyl] (2S)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-(3-fluorophenyl)-2-keto-ethyl] ester Formula: C24H30FNO4 MolecularWeight: 415.497703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO4/c1-14(2)21(22(28)30-13-20(27)18-4-3-5-19(25)9-18)26-23(29)24-10-15-6-16(11-24)8-17(7-15)12-24/h3-5,9,14-17,21H,6-8,10-13H2,1-2H3,(H,26,29)/t15?,16?,17?,21-,24?/m0/s1