4-dodecanoyl-1-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]pyrrole-2-carboxylate

Systemtic Name: 4-dodecanoyl-1-[(E)-3-ethoxy-3-oxidanylidene-prop-1-enyl]pyrrole-2-carboxylate Openeye Name: 4-dodecanoyl-1-[(E)-3-ethoxy-3-oxo-prop-1-enyl]pyrrole-2-carboxylate CAS Name: 1-[(E)-3-ethoxy-3-oxoprop-1-enyl]-4-(1-oxododecyl)-2-pyrrolecarboxylate IUPAC Name: 4-dodecanoyl-1-[(E)-3-ethoxy-3-oxoprop-1-enyl]pyrrole-2-carboxylate Traditional Name: 1-[(E)-3-ethoxy-3-keto-prop-1-enyl]-4-lauroyl-pyrrole-2-carboxylate Formula: C22H32NO5- MolecularWeight: 390.49318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)[O-])C=CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCC(=O)C1=CN(C(=C1)C(=O)[O-])/C=C/C(=O)OCC

InChI

InChI=1S/C22H33NO5/c1-3-5-6-7-8-9-10-11-12-13-20(24)18-16-19(22(26)27)23(17-18)15-14-21(25)28-4-2/h14-17H,3-13H2,1-2H3,(H,26,27)/p-1/b15-14+