methyl 8-ethanoyl-8-oxidanyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate

Systemtic Name: methyl 8-ethanoyl-8-oxidanyl-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Openeye Name: methyl 8-acetyl-5-benzyl-8-hydroxy-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate CAS Name: 8-acetyl-8-hydroxy-5-(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester IUPAC Name: methyl 8-acetyl-5-benzyl-8-hydroxy-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylate Traditional Name: 8-acetyl-5-benzyl-8-hydroxy-5-azabicyclo[2.2.2]oct-2-ene-3-carboxylic acid methyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC2CN(C1C(=C2)C(=O)OC)CC3=CC=CC=C3)O

Isomeric SMILES

CC(=O)C1(CC2CN(C1C(=C2)C(=O)OC)CC3=CC=CC=C3)O

InChI

InChI=1S/C18H21NO4/c1-12(20)18(22)9-14-8-15(17(21)23-2)16(18)19(11-14)10-13-6-4-3-5-7-13/h3-8,14,16,22H,9-11H2,1-2H3