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

Systemtic Name: 3-[(3-ethanoyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate Openeye Name: 3-[(3-acetyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate CAS Name: 3-[(3-acetyl-2,5-dimethyl-1-pyrrolyl)methyl]benzoate IUPAC Name: 3-[(3-acetyl-2,5-dimethylpyrrol-1-yl)methyl]benzoate Traditional Name: 3-[(3-acetyl-2,5-dimethyl-pyrrol-1-yl)methyl]benzoate Formula: C16H16NO3- MolecularWeight: 270.30314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)[O-])C)C(=O)C

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC(=C2)C(=O)[O-])C)C(=O)C

InChI

InChI=1S/C16H17NO3/c1-10-7-15(12(3)18)11(2)17(10)9-13-5-4-6-14(8-13)16(19)20/h4-8H,9H2,1-3H3,(H,19,20)/p-1