(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chloranylphenoxy)-3-phenyl-propanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chloranylphenoxy)-3-phenyl-propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)-3-phenyl-propanoate CAS Name: 2-(4-chlorophenoxy)-3-phenylpropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-(4-chlorophenoxy)-3-phenylpropanoate Traditional Name: 2-(4-chlorophenoxy)-3-phenyl-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C23H26ClNO3 MolecularWeight: 399.91044

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H26ClNO3/c1-25-18-9-10-19(25)15-21(14-18)28-23(26)22(13-16-5-3-2-4-6-16)27-20-11-7-17(24)8-12-20/h2-8,11-12,18-19,21-22H,9-10,13-15H2,1H3