1-azabicyclo[2.2.2]octan-3-yl 3-morpholin-4-yl-2-oxidanyl-2-phenyl-propanoate; iodanylmethane

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl 3-morpholin-4-yl-2-oxidanyl-2-phenyl-propanoate; iodanylmethane Openeye Name: iodomethane; quinuclidin-3-yl 2-hydroxy-3-morpholino-2-phenyl-propanoate CAS Name: 2-hydroxy-3-(4-morpholinyl)-2-phenylpropanoic acid 1-azabicyclo[2.2.2]octan-3-yl ester; iodomethane IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-3-morpholin-4-yl-2-phenylpropanoate; iodomethane Traditional Name: 2-hydroxy-3-morpholino-2-phenyl-propionic acid quinuclidin-3-yl ester; iodomethane Formula: C21H31IN2O4 MolecularWeight: 502.38631

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Descriptors Computed from Structure

Canonical SMILES:

CI.C1CN2CCC1C(C2)OC(=O)C(CN3CCOCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CI.C1CN2CCC1C(C2)OC(=O)C(CN3CCOCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C20H28N2O4.CH3I/c23-19(26-18-14-21-8-6-16(18)7-9-21)20(24,17-4-2-1-3-5-17)15-22-10-12-25-13-11-22;1-2/h1-5,16,18,24H,6-15H2;1H3