1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(2,4-dimethylphenyl)carbonylpiperidin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 1-[4-(2,4-dimethylbenzoyl)-1-piperidyl]-2-(3-hydroxy-1-adamantyl)ethanone CAS Name: 1-[4-[(2,4-dimethylphenyl)-oxomethyl]-1-piperidinyl]-2-(3-hydroxy-1-adamantyl)ethanone IUPAC Name: 1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone Traditional Name: 1-[4-(2,4-dimethylbenzoyl)piperidino]-2-(3-hydroxy-1-adamantyl)ethanone Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)C2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O)C

InChI

InChI=1S/C26H35NO3/c1-17-3-4-22(18(2)9-17)24(29)21-5-7-27(8-6-21)23(28)15-25-11-19-10-20(12-25)14-26(30,13-19)16-25/h3-4,9,19-21,30H,5-8,10-16H2,1-2H3