3,5-bis[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]phenyl]carbonylamino]propyl]benzoic acid

Systemtic Name: 3,5-bis[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]phenyl]carbonylamino]propyl]benzoic acid Openeye Name: 3,5-bis[3-[[3,5-bis[3-(benzyloxycarbonylamino)propyl]benzoyl]amino]propyl]benzoic acid CAS Name: 3,5-bis[3-[[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]phenyl]-oxomethyl]amino]propyl]benzoic acid IUPAC Name: 3,5-bis[3-[[3,5-bis[3-(phenylmethoxycarbonylamino)propyl]benzoyl]amino]propyl]benzoic acid Traditional Name: 3,5-bis[3-[[3,5-bis[3-(benzyloxycarbonylamino)propyl]benzoyl]amino]propyl]benzoic acid Formula: C71H80N6O12 MolecularWeight: 1209.4279

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC2=CC(=CC(=C2)C(=O)NCCCC3=CC(=CC(=C3)C(=O)O)CCCNC(=O)C4=CC(=CC(=C4)CCCNC(=O)OCC5=CC=CC=C5)CCCNC(=O)OCC6=CC=CC=C6)CCCNC(=O)OCC7=CC=CC=C7

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC2=CC(=CC(=C2)C(=O)NCCCC3=CC(=CC(=C3)C(=O)O)CCCNC(=O)C4=CC(=CC(=C4)CCCNC(=O)OCC5=CC=CC=C5)CCCNC(=O)OCC6=CC=CC=C6)CCCNC(=O)OCC7=CC=CC=C7

InChI

InChI=1S/C71H80N6O12/c78-65(62-42-56(29-15-35-74-68(82)86-48-52-19-5-1-6-20-52)39-57(43-62)30-16-36-75-69(83)87-49-53-21-7-2-8-22-53)72-33-13-27-60-41-61(47-64(46-60)67(80)81)28-14-34-73-66(79)63-44-58(31-17-37-76-70(84)88-50-54-23-9-3-10-24-54)40-59(45-63)32-18-38-77-71(85)89-51-55-25-11-4-12-26-55/h1-12,19-26,39-47H,13-18,27-38,48-51H2,(H,72,78)(H,73,79)(H,74,82)(H,75,83)(H,76,84)(H,77,85)(H,80,81)