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

Systemtic Name: diethyl 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioate Openeye Name: diethyl 2-[benzyloxycarbonyl(benzyloxycarbonylamino)amino]-2-buta-2,3-dienyl-propanedioate CAS Name: 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-buta-2,3-dienyl-2-[phenylmethoxycarbonyl(phenylmethoxycarbonylamino)amino]propanedioate Traditional Name: 2-[benzyloxycarbonylamino(carbobenzoxy)amino]-2-buta-2,3-dienyl-malonic acid diethyl ester Formula: C27H30N2O8 MolecularWeight: 510.5357

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC=C=C)(C(=O)OCC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CC=C=C)(C(=O)OCC)N(C(=O)OCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H30N2O8/c1-4-7-18-27(23(30)34-5-2,24(31)35-6-3)29(26(33)37-20-22-16-12-9-13-17-22)28-25(32)36-19-21-14-10-8-11-15-21/h7-17H,1,5-6,18-20H2,2-3H3,(H,28,32)