[2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate

Systemtic Name: [2-(1H-indol-3-yl)-2-oxidanylidene-1-phenyl-ethyl] 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [2-(1H-indol-3-yl)-2-oxo-1-phenyl-ethyl] 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(1H-indol-3-yl)-2-oxo-1-phenylethyl] 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [2-(1H-indol-3-yl)-2-keto-1-phenyl-ethyl] ester Formula: C28H28BrNO3 MolecularWeight: 506.43082

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OC(C4=CC=CC=C4)C(=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H28BrNO3/c29-28-13-18-10-19(14-28)12-27(11-18,17-28)15-24(31)33-26(20-6-2-1-3-7-20)25(32)22-16-30-23-9-5-4-8-21(22)23/h1-9,16,18-19,26,30H,10-15,17H2