ethyl 4-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonylamino]benzoate Openeye Name: ethyl 4-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoate CAS Name: 4-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoate Traditional Name: 4-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]amino]benzoic acid ethyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO4/c1-2-25-17(22)15-3-5-16(6-4-15)21-18(23)19-8-13-7-14(9-19)11-20(24,10-13)12-19/h3-6,13-14,24H,2,7-12H2,1H3,(H,21,23)/t13-,14+,19?,20?