[2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [2-keto-2-(3-phenyl-2-pyrazolin-1-yl)ethyl] ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

C1CN(N=C1C2=CC=CC=C2)C(=O)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4/c25-19(24-7-6-18(23-24)17-4-2-1-3-5-17)13-28-20(26)21-9-15-8-16(10-21)12-22(27,11-15)14-21/h1-5,15-16,27H,6-14H2/t15-,16+,21?,22?