8-bromanyl-6-chloranyl-4-ethyl-7-oxidanyl-2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-6-carboxylic acid

Systemtic Name: 8-bromanyl-6-chloranyl-4-ethyl-7-oxidanyl-2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-6-carboxylic acid Openeye Name: 2-benzyloxycarbonyl-8-bromo-6-chloro-4-ethyl-7-hydroxy-2-azabicyclo[2.2.2]octane-6-carboxylic acid CAS Name: 8-bromo-6-chloro-4-ethyl-7-hydroxy-2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-6-carboxylic acid IUPAC Name: 8-bromo-6-chloro-4-ethyl-7-hydroxy-2-phenylmethoxycarbonyl-2-azabicyclo[2.2.2]octane-6-carboxylic acid Traditional Name: 8-bromo-2-carbobenzoxy-6-chloro-4-ethyl-7-hydroxy-2-azabicyclo[2.2.2]octane-6-carboxylic acid Formula: C18H21BrClNO5 MolecularWeight: 446.72004

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(C(C1Br)O)N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)O)Cl

Isomeric SMILES

CCC12CC(C(C(C1Br)O)N(C2)C(=O)OCC3=CC=CC=C3)(C(=O)O)Cl

InChI

InChI=1S/C18H21BrClNO5/c1-2-17-9-18(20,15(23)24)14(12(22)13(17)19)21(10-17)16(25)26-8-11-6-4-3-5-7-11/h3-7,12-14,22H,2,8-10H2,1H3,(H,23,24)