3-(2,5-dimethylpyrrol-1-yl)-4-methyl-benzoate

Systemtic Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methyl-benzoate Openeye Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methyl-benzoate CAS Name: 3-(2,5-dimethyl-1-pyrrolyl)-4-methylbenzoate IUPAC Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methylbenzoate Traditional Name: 3-(2,5-dimethylpyrrol-1-yl)-4-methyl-benzoate Formula: C14H14NO2- MolecularWeight: 228.26646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=CC=C2C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=CC=C2C)C

InChI

InChI=1S/C14H15NO2/c1-9-4-7-12(14(16)17)8-13(9)15-10(2)5-6-11(15)3/h4-8H,1-3H3,(H,16,17)/p-1