methyl 1-pentyl-5-(phenylcarbonyl)-2,3-dihydropyrrole-4-carboxylate

Systemtic Name: methyl 1-pentyl-5-(phenylcarbonyl)-2,3-dihydropyrrole-4-carboxylate Openeye Name: methyl 5-benzoyl-1-pentyl-2,3-dihydropyrrole-4-carboxylate CAS Name: 5-benzoyl-1-pentyl-2,3-dihydropyrrole-4-carboxylic acid methyl ester IUPAC Name: methyl 5-benzoyl-1-pentyl-2,3-dihydropyrrole-4-carboxylate Traditional Name: 1-amyl-2-benzoyl-2-pyrroline-3-carboxylic acid methyl ester Formula: C18H23NO3 MolecularWeight: 301.38012

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(=C1C(=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCCCN1CCC(=C1C(=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H23NO3/c1-3-4-8-12-19-13-11-15(18(21)22-2)16(19)17(20)14-9-6-5-7-10-14/h5-7,9-10H,3-4,8,11-13H2,1-2H3