(7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (7-hydroxy-2-oxo-chromen-4-yl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-2-oxochromen-4-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=O)OC4=C3C=CC(=C4)O

InChI

InChI=1S/C23H20N2O5/c1-14-22(15(2)25(24-14)12-16-6-4-3-5-7-16)23(28)29-13-17-10-21(27)30-20-11-18(26)8-9-19(17)20/h3-11,26H,12-13H2,1-2H3