(phenylmethyl) 2-(2-methanoylpyridin-3-yl)-5-(2-methylpropylcarbamoyl)benzoate

Systemtic Name: (phenylmethyl) 2-(2-methanoylpyridin-3-yl)-5-(2-methylpropylcarbamoyl)benzoate Openeye Name: benzyl 2-(2-formyl-3-pyridyl)-5-(isobutylcarbamoyl)benzoate CAS Name: 2-(2-formyl-3-pyridinyl)-5-[(2-methylpropylamino)-oxomethyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-formylpyridin-3-yl)-5-(2-methylpropylcarbamoyl)benzoate Traditional Name: 2-(2-formyl-3-pyridyl)-5-(isobutylcarbamoyl)benzoic acid benzyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(N=CC=C2)C=O)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)CNC(=O)C1=CC(=C(C=C1)C2=C(N=CC=C2)C=O)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4/c1-17(2)14-27-24(29)19-10-11-20(21-9-6-12-26-23(21)15-28)22(13-19)25(30)31-16-18-7-4-3-5-8-18/h3-13,15,17H,14,16H2,1-2H3,(H,27,29)