methyl 3-(3-ethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate

Systemtic Name: methyl 3-(3-ethanoyl-2,5-dimethyl-pyrrol-1-yl)benzoate Openeye Name: methyl 3-(3-acetyl-2,5-dimethyl-pyrrol-1-yl)benzoate CAS Name: 3-(3-acetyl-2,5-dimethyl-1-pyrrolyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-acetyl-2,5-dimethylpyrrol-1-yl)benzoate Traditional Name: 3-(3-acetyl-2,5-dimethyl-pyrrol-1-yl)benzoic acid methyl ester Formula: C16H17NO3 MolecularWeight: 271.31108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)OC)C)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-10-8-15(12(3)18)11(2)17(10)14-7-5-6-13(9-14)16(19)20-4/h5-9H,1-4H3