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

Systemtic Name: methyl 3-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate Openeye Name: methyl 3-[3-(hydroxymethyl)-2,5-dimethyl-pyrrol-1-yl]-2-methyl-benzoate CAS Name: 3-[3-(hydroxymethyl)-2,5-dimethyl-1-pyrrolyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[3-(hydroxymethyl)-2,5-dimethylpyrrol-1-yl]-2-methylbenzoate Traditional Name: 3-(2,5-dimethyl-3-methylol-pyrrol-1-yl)-2-methyl-benzoic acid methyl ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-10-8-13(9-18)12(3)17(10)15-7-5-6-14(11(15)2)16(19)20-4/h5-8,18H,9H2,1-4H3