3-(4-fluoranylphenoxy)propyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 3-(4-fluoranylphenoxy)propyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 3-(4-fluorophenoxy)propyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 3-(4-fluorophenoxy)propyl ester IUPAC Name: 3-(4-fluorophenoxy)propyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 3-(4-fluorophenoxy)propyl ester Formula: C18H20FNO4 MolecularWeight: 333.354103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCCOC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCCOC2=CC=C(C=C2)F

InChI

InChI=1S/C18H20FNO4/c1-11-16(13(3)21)12(2)20-17(11)18(22)24-10-4-9-23-15-7-5-14(19)6-8-15/h5-8,20H,4,9-10H2,1-3H3