bis(phenylmethyl) 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioate

Systemtic Name: bis(phenylmethyl) 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioate Openeye Name: dibenzyl 2-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]-2-buta-2,3-dienyl-propanedioate CAS Name: 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioic acid bis(phenylmethyl) ester IUPAC Name: dibenzyl 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioate Traditional Name: 2-[benzyloxycarbonylamino(carbobenzoxy)amino]-2-buta-2,3-dienyl-malonic acid dibenzyl ester Formula: C37H34N2O8 MolecularWeight: 634.67446

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Descriptors Computed from Structure

Canonical SMILES:

C=C=CCC(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C=C=CCC(C(=O)OCC1=CC=CC=C1)(C(=O)OCC2=CC=CC=C2)N(C(=O)OCC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C37H34N2O8/c1-2-3-24-37(33(40)44-25-29-16-8-4-9-17-29,34(41)45-26-30-18-10-5-11-19-30)39(36(43)47-28-32-22-14-7-15-23-32)38-35(42)46-27-31-20-12-6-13-21-31/h3-23H,1,24-28H2,(H,38,42)