[2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)piperidin-1-yl]ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(4-benzyl-1-piperidyl)-2-oxo-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-oxo-2-[4-(phenylmethyl)-1-piperidinyl]ethyl] ester IUPAC Name: [2-(4-benzylpiperidin-1-yl)-2-oxoethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(4-benzylpiperidino)-2-keto-ethyl] ester Formula: C26H34BrNO3 MolecularWeight: 488.45706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C26H34BrNO3/c27-26-14-21-11-22(15-26)13-25(12-21,18-26)16-24(30)31-17-23(29)28-8-6-20(7-9-28)10-19-4-2-1-3-5-19/h1-5,20-22H,6-18H2