[2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(2-methoxyphenyl)-2-oxidanylidene-ethyl] (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(2-methoxyphenyl)-2-oxo-ethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxyphenyl)-2-oxoethyl] (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid [2-keto-2-(2-methoxyphenyl)ethyl] ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=CC=C1OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OCC(=O)C1=CC=CC=C1OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C25H33NO5/c1-15(2)22(23(28)31-14-20(27)19-6-4-5-7-21(19)30-3)26-24(29)25-11-16-8-17(12-25)10-18(9-16)13-25/h4-7,15-18,22H,8-14H2,1-3H3,(H,26,29)/t16?,17?,18?,22-,25?/m1/s1