methyl 4-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[(2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[(2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[(2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C25H33NO5 MolecularWeight: 427.53322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33NO5/c1-15(2)21(23(28)31-14-16-4-6-20(7-5-16)22(27)30-3)26-24(29)25-11-17-8-18(12-25)10-19(9-17)13-25/h4-7,15,17-19,21H,8-14H2,1-3H3,(H,26,29)/t17?,18?,19?,21-,25?/m1/s1