[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl] ester Formula: C19H27N3O4 MolecularWeight: 361.43538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C)N1C(=CC=N1)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C19H27N3O4/c1-12(2)22-15(3-4-20-22)21-16(23)10-26-17(24)18-6-13-5-14(7-18)9-19(25,8-13)11-18/h3-4,12-14,25H,5-11H2,1-2H3,(H,21,23)