1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester IUPAC Name: 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 1,4-diazabicyclo[2.2.2]octan-3-ylmethyl ester Formula: C15H20ClN3O3 MolecularWeight: 325.7906

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC2CN3CCN2CC3)Cl)N

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC2CN3CCN2CC3)Cl)N

InChI

InChI=1S/C15H20ClN3O3/c1-21-14-7-13(17)12(16)6-11(14)15(20)22-9-10-8-18-2-4-19(10)5-3-18/h6-7,10H,2-5,8-9,17H2,1H3