[(E)-4-(1-ethylpyrrol-2-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate

Systemtic Name: [(E)-4-(1-ethylpyrrol-2-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate Openeye Name: [(E)-2-(tert-butoxycarbonylamino)-4-(1-ethylpyrrol-2-yl)-2-methyl-but-3-enyl] hexanoate CAS Name: hexanoic acid [(E)-4-(1-ethyl-2-pyrrolyl)-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]but-3-enyl] ester IUPAC Name: [(E)-4-(1-ethylpyrrol-2-yl)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]but-3-enyl] hexanoate Traditional Name: hexanoic acid [(E)-2-(tert-butoxycarbonylamino)-4-(1-ethylpyrrol-2-yl)-2-methyl-but-3-enyl] ester Formula: C22H36N2O4 MolecularWeight: 392.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCC(C)(C=CC1=CC=CN1CC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCC(=O)OCC(C)(/C=C/C1=CC=CN1CC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H36N2O4/c1-7-9-10-13-19(25)27-17-22(6,23-20(26)28-21(3,4)5)15-14-18-12-11-16-24(18)8-2/h11-12,14-16H,7-10,13,17H2,1-6H3,(H,23,26)/b15-14+