(2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate

Systemtic Name: (2-oxidanylidene-2-piperidin-1-yl-ethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Openeye Name: [2-oxo-2-(1-piperidyl)ethyl] 3-(4-methoxyphenyl)adamantane-1-carboxylate CAS Name: 3-(4-methoxyphenyl)-1-adamantanecarboxylic acid [2-oxo-2-(1-piperidinyl)ethyl] ester IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 3-(4-methoxyphenyl)adamantane-1-carboxylate Traditional Name: 3-(4-methoxyphenyl)adamantane-1-carboxylic acid (2-keto-2-piperidino-ethyl) ester Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC(=O)N5CCCCC5

InChI

InChI=1S/C25H33NO4/c1-29-21-7-5-20(6-8-21)24-12-18-11-19(13-24)15-25(14-18,17-24)23(28)30-16-22(27)26-9-3-2-4-10-26/h5-8,18-19H,2-4,9-17H2,1H3