[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl] 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl] ester IUPAC Name: [1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl] 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [2-keto-1-methyl-2-(4-phenylpiperazino)ethyl] ester Formula: C25H34N2O4 MolecularWeight: 426.54846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)OC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C25H34N2O4/c1-18(23(29)27-9-7-26(8-10-27)21-5-3-2-4-6-21)31-22(28)16-24-12-19-11-20(13-24)15-25(30,14-19)17-24/h2-6,18-20,30H,7-17H2,1H3