(4-ethanoylphenyl) (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate

Systemtic Name: (4-ethanoylphenyl) (2R)-2-(1-adamantylcarbonylamino)-3-methyl-butanoate Openeye Name: (4-acetylphenyl) (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butanoate CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-methylbutanoic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) (2R)-2-(adamantane-1-carbonylamino)-3-methylbutanoate Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-methyl-butyric acid (4-acetylphenyl) ester Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC1=CC=C(C=C1)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)[C@H](C(=O)OC1=CC=C(C=C1)C(=O)C)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C24H31NO4/c1-14(2)21(22(27)29-20-6-4-19(5-7-20)15(3)26)25-23(28)24-11-16-8-17(12-24)10-18(9-16)13-24/h4-7,14,16-18,21H,8-13H2,1-3H3,(H,25,28)/t16?,17?,18?,21-,24?/m1/s1