(phenylmethyl) 5-methanoyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate

Systemtic Name: (phenylmethyl) 5-methanoyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Openeye Name: benzyl 5-formyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylate CAS Name: 5-formyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-formyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylate Traditional Name: 5-formyl-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid benzyl ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C=O)C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C=O)C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H21N3O4/c1-13(2)21(3)20(27)23-18(24-21)17-16(9-15(11-25)10-22-17)19(26)28-12-14-7-5-4-6-8-14/h4-11,13H,12H2,1-3H3,(H,23,24,27)