3,5-bis[(4-carboxyphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid

Systemtic Name: 3,5-bis[(4-carboxyphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Openeye Name: 4-[4-(3-benzyloxypropoxy)phenyl]-3,5-bis[(4-carboxyphenyl)methoxy]piperidine-1-carboxylic acid CAS Name: 3,5-bis[(4-carboxyphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]-1-piperidinecarboxylic acid IUPAC Name: 3,5-bis[(4-carboxyphenyl)methoxy]-4-[4-(3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylic acid Traditional Name: 4-[4-(3-benzoxypropoxy)phenyl]-3,5-bis[(4-carboxybenzyl)oxy]piperidine-1-carboxylic acid Formula: C38H39NO10 MolecularWeight: 669.71696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(CN1C(=O)O)OCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)OCC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

C1C(C(C(CN1C(=O)O)OCC2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)OCCCOCC4=CC=CC=C4)OCC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C38H39NO10/c40-36(41)30-11-7-27(8-12-30)24-48-33-21-39(38(44)45)22-34(49-25-28-9-13-31(14-10-28)37(42)43)35(33)29-15-17-32(18-16-29)47-20-4-19-46-23-26-5-2-1-3-6-26/h1-3,5-18,33-35H,4,19-25H2,(H,40,41)(H,42,43)(H,44,45)