(3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: (3-oxidanylidenebenzo[f]chromen-1-yl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolecarboxylic acid (3-oxo-1-benzo[f][1]benzopyranyl)methyl ester IUPAC Name: (3-oxobenzo[f]chromen-1-yl)methyl 1-(4-fluorophenyl)-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-(4-fluorophenyl)-2,5-dimethyl-pyrrole-3-carboxylic acid (3-ketobenzo[f]chromen-1-yl)methyl ester Formula: C27H20FNO4 MolecularWeight: 441.450403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C27H20FNO4/c1-16-13-23(17(2)29(16)21-10-8-20(28)9-11-21)27(31)32-15-19-14-25(30)33-24-12-7-18-5-3-4-6-22(18)26(19)24/h3-14H,15H2,1-2H3