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

Systemtic Name: [(E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-methylpyrrol-2-yl)but-3-enyl] hexanoate Openeye Name: [(E)-2-(tert-butoxycarbonylamino)-2-methyl-4-(1-methylpyrrol-2-yl)but-3-enyl] hexanoate CAS Name: hexanoic acid [(E)-2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(1-methyl-2-pyrrolyl)but-3-enyl] ester IUPAC Name: [(E)-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(1-methylpyrrol-2-yl)but-3-enyl] hexanoate Traditional Name: hexanoic acid [(E)-2-(tert-butoxycarbonylamino)-2-methyl-4-(1-methylpyrrol-2-yl)but-3-enyl] ester Formula: C21H34N2O4 MolecularWeight: 378.50566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4/c1-7-8-9-12-18(24)26-16-21(5,22-19(25)27-20(2,3)4)14-13-17-11-10-15-23(17)6/h10-11,13-15H,7-9,12,16H2,1-6H3,(H,22,25)/b14-13+