tert-butyl 2-[(E)-4-hexanoyloxy-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyrrole-1-carboxylate

Systemtic Name: tert-butyl 2-[(E)-4-hexanoyloxy-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyrrole-1-carboxylate Openeye Name: tert-butyl 2-[(E)-3-(tert-butoxycarbonylamino)-4-hexanoyloxy-3-methyl-but-1-enyl]pyrrole-1-carboxylate CAS Name: 2-[(E)-3-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-oxohexoxy)but-1-enyl]-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(E)-4-hexanoyloxy-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]but-1-enyl]pyrrole-1-carboxylate Traditional Name: 2-[(E)-3-(tert-butoxycarbonylamino)-4-caproyloxy-3-methyl-but-1-enyl]pyrrole-1-carboxylic acid tert-butyl ester Formula: C25H40N2O6 MolecularWeight: 464.5949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(C)(C=CC1=CC=CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)OCC(C)(/C=C/C1=CC=CN1C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H40N2O6/c1-9-10-11-14-20(28)31-18-25(8,26-21(29)32-23(2,3)4)16-15-19-13-12-17-27(19)22(30)33-24(5,6)7/h12-13,15-17H,9-11,14,18H2,1-8H3,(H,26,29)/b16-15+