2-phenoxyethyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: 2-phenoxyethyl 4-ethanoyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid 2-phenoxyethyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCOC2=CC=CC=C2

Isomeric SMILES

CC1=C(NC(=C1C(=O)C)C)C(=O)OCCOC2=CC=CC=C2

InChI

InChI=1S/C17H19NO4/c1-11-15(13(3)19)12(2)18-16(11)17(20)22-10-9-21-14-7-5-4-6-8-14/h4-8,18H,9-10H2,1-3H3