dimethyl (2Z,6Z)-2-acetamido-7-(phenylmethoxycarbonylamino)octa-2,6-dienedioate

Systemtic Name: dimethyl (2Z,6Z)-2-acetamido-7-(phenylmethoxycarbonylamino)octa-2,6-dienedioate Openeye Name: dimethyl (2Z,6Z)-2-acetamido-7-(benzyloxycarbonylamino)octa-2,6-dienedioate CAS Name: (2Z,6Z)-2-acetamido-7-(phenylmethoxycarbonylamino)octa-2,6-dienedioic acid dimethyl ester IUPAC Name: dimethyl (2Z,6Z)-2-acetamido-7-(phenylmethoxycarbonylamino)octa-2,6-dienedioate Traditional Name: (2Z,6Z)-2-acetamido-7-(benzyloxycarbonylamino)octa-2,6-dienedioic acid dimethyl ester Formula: C20H24N2O7 MolecularWeight: 404.41376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CCCC=C(C(=O)OC)NC(=O)OCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

CC(=O)N/C(=C\CC/C=C(/C(=O)OC)\NC(=O)OCC1=CC=CC=C1)/C(=O)OC

InChI

InChI=1S/C20H24N2O7/c1-14(23)21-16(18(24)27-2)11-7-8-12-17(19(25)28-3)22-20(26)29-13-15-9-5-4-6-10-15/h4-6,9-12H,7-8,13H2,1-3H3,(H,21,23)(H,22,26)/b16-11-,17-12-