[(5R,6S,9R)-6-acetyloxy-4-ethanoyl-4-azaspiro[4.4]non-7-en-9-yl] 4-bromanylbenzoate

Systemtic Name: [(5R,6S,9R)-6-acetyloxy-4-ethanoyl-4-azaspiro[4.4]non-7-en-9-yl] 4-bromanylbenzoate Openeye Name: [(5R,6S,9R)-6-acetoxy-4-acetyl-4-azaspiro[4.4]non-7-en-9-yl] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(5R,6S,9R)-4-acetyl-6-acetyloxy-4-azaspiro[4.4]non-7-en-9-yl] ester IUPAC Name: [(5R,6S,9R)-4-acetyl-6-acetyloxy-4-azaspiro[4.4]non-7-en-9-yl] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(5R,6S,9R)-6-acetoxy-4-acetyl-4-azaspiro[4.4]non-7-en-9-yl] ester Formula: C19H20BrNO5 MolecularWeight: 422.2698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCC12C(C=CC2OC(=O)C3=CC=C(C=C3)Br)OC(=O)C

Isomeric SMILES

CC(=O)N1CCC[C@]12[C@H](C=C[C@H]2OC(=O)C3=CC=C(C=C3)Br)OC(=O)C

InChI

InChI=1S/C19H20BrNO5/c1-12(22)21-11-3-10-19(21)16(25-13(2)23)8-9-17(19)26-18(24)14-4-6-15(20)7-5-14/h4-9,16-17H,3,10-11H2,1-2H3/t16-,17+,19+/m0/s1