[8-(1-bromanyl-2-butoxy-2-phenyl-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: [8-(1-bromanyl-2-butoxy-2-phenyl-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [8-(1-bromo-2-butoxy-2-phenyl-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-(1-bromo-2-butoxy-2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(1-bromo-2-butoxy-2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [8-(1-bromo-2-butoxy-2-phenyl-ethyl)-8-azabicyclo[3.2.1]octan-3-yl] ester Formula: C28H36BrNO4 MolecularWeight: 530.49374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(C1=CC=CC=C1)C(N2C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)Br

Isomeric SMILES

CCCCOC(C1=CC=CC=C1)C(N2C3CCC2CC(C3)OC(=O)C(CO)C4=CC=CC=C4)Br

InChI

InChI=1S/C28H36BrNO4/c1-2-3-16-33-26(21-12-8-5-9-13-21)27(29)30-22-14-15-23(30)18-24(17-22)34-28(32)25(19-31)20-10-6-4-7-11-20/h4-13,22-27,31H,2-3,14-19H2,1H3