[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(5S,7R)-3-bromanyl-1-adamantyl]ethanoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(5S,7R)-3-bromo-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-bromo-1-adamantyl]acetic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C18H22BrNO3 MolecularWeight: 380.27618

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CN4

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)CC(=O)OCC(=O)C4=CC=CN4

InChI

InChI=1S/C18H22BrNO3/c19-18-7-12-4-13(8-18)6-17(5-12,11-18)9-16(22)23-10-15(21)14-2-1-3-20-14/h1-3,12-13,20H,4-11H2/t12-,13+,17?,18?