(2-methyl-1-oxidanyl-propan-2-yl) 8-[4-(4-cyanophenyl)-4-(4-oxidanylphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate

Systemtic Name: (2-methyl-1-oxidanyl-propan-2-yl) 8-[4-(4-cyanophenyl)-4-(4-oxidanylphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Openeye Name: (2-hydroxy-1,1-dimethyl-ethyl) 8-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate CAS Name: 8-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (1-hydroxy-2-methylpropan-2-yl) ester IUPAC Name: (1-hydroxy-2-methylpropan-2-yl) 8-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate Traditional Name: 8-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylic acid (2-hydroxy-1,1-dimethyl-ethyl) ester Formula: C28H35N3O5 MolecularWeight: 493.5946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CO)OC(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(CO)OC(=O)N1CC2CCC(C1)N2CCCC(C3=CC=C(C=C3)C#N)OC4=CC=C(C=C4)O

InChI

InChI=1S/C28H35N3O5/c1-28(2,19-32)36-27(34)30-17-22-9-10-23(18-30)31(22)15-3-4-26(21-7-5-20(16-29)6-8-21)35-25-13-11-24(33)12-14-25/h5-8,11-14,22-23,26,32-33H,3-4,9-10,15,17-19H2,1-2H3