[2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: [2-(1-adamantyl)-2-oxidanylidene-ethyl] 1-(2-methylphenyl)carbonylpiperidine-4-carboxylate Openeye Name: [2-(1-adamantyl)-2-oxo-ethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate CAS Name: 1-[(2-methylphenyl)-oxomethyl]-4-piperidinecarboxylic acid [2-(1-adamantyl)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantyl)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate Traditional Name: 1-o-toluoylisonipecotic acid [2-(1-adamantyl)-2-keto-ethyl] ester Formula: C26H33NO4 MolecularWeight: 423.54452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=CC=CC=C1C(=O)N2CCC(CC2)C(=O)OCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H33NO4/c1-17-4-2-3-5-22(17)24(29)27-8-6-21(7-9-27)25(30)31-16-23(28)26-13-18-10-19(14-26)12-20(11-18)15-26/h2-5,18-21H,6-16H2,1H3