[3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] 3-methyl-2-oxidanyl-2-phenyl-butanoate

Systemtic Name: [3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] 3-methyl-2-oxidanyl-2-phenyl-butanoate Openeye Name: (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-hydroxy-3-methyl-2-phenyl-butanoate CAS Name: 2-hydroxy-3-methyl-2-phenylbutanoic acid [3-(phenylmethyl)-3-azabicyclo[3.2.1]octan-8-yl] ester IUPAC Name: (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-hydroxy-3-methyl-2-phenylbutanoate Traditional Name: 2-hydroxy-3-methyl-2-phenyl-butyric acid (3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=CC=C1)(C(=O)OC2C3CCC2CN(C3)CC4=CC=CC=C4)O

Isomeric SMILES

CC(C)C(C1=CC=CC=C1)(C(=O)OC2C3CCC2CN(C3)CC4=CC=CC=C4)O

InChI

InChI=1S/C25H31NO3/c1-18(2)25(28,22-11-7-4-8-12-22)24(27)29-23-20-13-14-21(23)17-26(16-20)15-19-9-5-3-6-10-19/h3-12,18,20-21,23,28H,13-17H2,1-2H3