(3,3-dimethyl-2-oxidanylidene-butyl) 2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoate CAS Name: 2-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoate Traditional Name: 2-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C24H31NO5 MolecularWeight: 413.50664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C24H31NO5/c1-22(2,3)19(26)13-30-20(27)17-6-4-5-7-18(17)25-21(28)23-9-15-8-16(10-23)12-24(29,11-15)14-23/h4-7,15-16,29H,8-14H2,1-3H3,(H,25,28)/t15-,16+,23?,24?