[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C23H30BrNO3 MolecularWeight: 448.3932

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NCCCC4=CC=CC=C4

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)NCCCC4=CC=CC=C4

InChI

InChI=1S/C23H30BrNO3/c24-23-12-18-9-19(13-23)11-22(10-18,16-23)14-21(27)28-15-20(26)25-8-4-7-17-5-2-1-3-6-17/h1-3,5-6,18-19H,4,7-16H2,(H,25,26)