3,5-bis[(4,5-dimethoxypyrimidin-2-yl)oxymethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3,5-bis[(4,5-dimethoxypyrimidin-2-yl)oxymethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3,5-bis[(4,5-dimethoxypyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate CAS Name: 3,5-bis[(4,5-dimethoxy-2-pyrimidinyl)oxymethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3,5-bis[(4,5-dimethoxypyrimidin-2-yl)oxymethyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3,5-bis[(4,5-dimethoxypyrimidin-2-yl)oxymethyl]piperidine-1-carboxylate Formula: C36H42N5O10- MolecularWeight: 704.74618

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CN=C(N=C1OC)OCC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)COC5=NC=C(C(=N5)OC)OC)C(=O)[O-]

Isomeric SMILES

COC1=CN=C(N=C1OC)OCC2CN(CC(C2C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)COC5=NC=C(C(=N5)OC)OC)C(=O)[O-]

InChI

InChI=1S/C36H43N5O10/c1-44-29-17-37-34(39-32(29)46-3)50-22-26-19-41(36(42)43)20-27(23-51-35-38-18-30(45-2)33(40-35)47-4)31(26)25-11-13-28(14-12-25)49-16-8-15-48-21-24-9-6-5-7-10-24/h5-7,9-14,17-18,26-27,31H,8,15-16,19-23H2,1-4H3,(H,42,43)/p-1