(R)-[5-[[[4-(4-acetamidophenoxy)-4-oxidanylidene-butyl]-dimethyl-azaniumyl]methyl]-1,3-oxazol-2-yl]-cyclohexyl-phenyl-methanolate

Systemtic Name: (R)-[5-[[[4-(4-acetamidophenoxy)-4-oxidanylidene-butyl]-dimethyl-azaniumyl]methyl]-1,3-oxazol-2-yl]-cyclohexyl-phenyl-methanolate Openeye Name: (R)-[5-[[[4-(4-acetamidophenoxy)-4-oxo-butyl]-dimethyl-ammonio]methyl]oxazol-2-yl]-cyclohexyl-phenyl-methanolate CAS Name: (R)-[5-[[[4-(4-acetamidophenoxy)-4-oxobutyl]-dimethylammonio]methyl]-2-oxazolyl]-cyclohexyl-phenylmethanolate IUPAC Name: (R)-[5-[[[4-(4-acetamidophenoxy)-4-oxobutyl]-dimethylazaniumyl]methyl]-1,3-oxazol-2-yl]-cyclohexyl-phenylmethanolate Traditional Name: (R)-[5-[[[4-(4-acetamidophenoxy)-4-keto-butyl]-dimethyl-ammonio]methyl]oxazol-2-yl]-cyclohexyl-phenyl-methanolate Formula: C31H39N3O5 MolecularWeight: 533.65846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)CCC[N+](C)(C)CC2=CN=C(O2)C(C3CCCCC3)(C4=CC=CC=C4)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)CCC[N+](C)(C)CC2=CN=C(O2)[C@@](C3CCCCC3)(C4=CC=CC=C4)[O-]

InChI

InChI=1S/C31H39N3O5/c1-23(35)33-26-16-18-27(19-17-26)38-29(36)15-10-20-34(2,3)22-28-21-32-30(39-28)31(37,24-11-6-4-7-12-24)25-13-8-5-9-14-25/h4,6-7,11-12,16-19,21,25H,5,8-10,13-15,20,22H2,1-3H3,(H,33,35)/t31-/m0/s1