[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: [2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl] 2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl] 2-oxo-1H-pyridine-3-carboxylate CAS Name: 2-oxo-1H-pyridine-3-carboxylic acid [2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl] ester IUPAC Name: [2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl] 2-oxo-1H-pyridine-3-carboxylate Traditional Name: 2-keto-1H-pyridine-3-carboxylic acid [2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl] ester Formula: C21H20N2O4 MolecularWeight: 364.3945

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CNC3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)COC(=O)C3=CC=CNC3=O

InChI

InChI=1S/C21H20N2O4/c1-14-11-18(15(2)23(14)12-16-7-4-3-5-8-16)19(24)13-27-21(26)17-9-6-10-22-20(17)25/h3-11H,12-13H2,1-2H3,(H,22,25)