(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 3,5-dimethyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-benzyl-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-benzyl-3,5-dimethyl-pyrazole-4-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H22N2O4 MolecularWeight: 438.47458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H22N2O4/c1-17-25(18(2)29(28-17)15-19-8-4-3-5-9-19)27(31)32-16-21-14-24(30)33-23-13-12-20-10-6-7-11-22(20)26(21)23/h3-14H,15-16H2,1-2H3