methyl 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate

Systemtic Name: methyl 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate Openeye Name: methyl 2-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]benzoate CAS Name: 2-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]benzoate Traditional Name: 2-(2,5-dimethyl-3-methylol-pyrrol-1-yl)benzoic acid methyl ester Formula: C15H17NO3 MolecularWeight: 259.30038

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)CO

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC=C2C(=O)OC)C)CO

InChI

InChI=1S/C15H17NO3/c1-10-8-12(9-17)11(2)16(10)14-7-5-4-6-13(14)15(18)19-3/h4-8,17H,9H2,1-3H3