3-[bis(oxidanyl)methyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate

Systemtic Name: 3-[bis(oxidanyl)methyl]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3-(dihydroxymethyl)piperidine-1-carboxylate CAS Name: 3-(dihydroxymethyl)-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylate IUPAC Name: 3-(dihydroxymethyl)-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3-(dihydroxymethyl)piperidine-1-carboxylate Formula: C23H28NO6- MolecularWeight: 414.47152

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C(O)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCOCC3=CC=CC=C3)C(O)O)C(=O)[O-]

InChI

InChI=1S/C23H29NO6/c25-22(26)21-15-24(23(27)28)12-11-20(21)18-7-9-19(10-8-18)30-14-4-13-29-16-17-5-2-1-3-6-17/h1-3,5-10,20-22,25-26H,4,11-16H2,(H,27,28)/p-1