ethyl 1-[(E)-but-2-enyl]-3-methanoyl-5-methyl-4-pentyl-pyrrole-2-carboxylate

Systemtic Name: ethyl 1-[(E)-but-2-enyl]-3-methanoyl-5-methyl-4-pentyl-pyrrole-2-carboxylate Openeye Name: ethyl 1-[(E)-but-2-enyl]-3-formyl-5-methyl-4-pentyl-pyrrole-2-carboxylate CAS Name: 1-[(E)-but-2-enyl]-3-formyl-5-methyl-4-pentyl-2-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-but-2-enyl]-3-formyl-5-methyl-4-pentylpyrrole-2-carboxylate Traditional Name: 4-amyl-1-[(E)-but-2-enyl]-3-formyl-5-methyl-pyrrole-2-carboxylic acid ethyl ester Formula: C18H27NO3 MolecularWeight: 305.41188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(N(C(=C1C=O)C(=O)OCC)CC=CC)C

Isomeric SMILES

CCCCCC1=C(N(C(=C1C=O)C(=O)OCC)C/C=C/C)C

InChI

InChI=1S/C18H27NO3/c1-5-8-10-11-15-14(4)19(12-9-6-2)17(16(15)13-20)18(21)22-7-3/h6,9,13H,5,7-8,10-12H2,1-4H3/b9-6+