dimethyl 2,5-bis[(3-fluorophenyl)-methyl-amino]cyclohexa-1,4-diene-1,4-dicarboxylate

Systemtic Name: dimethyl 2,5-bis[(3-fluorophenyl)-methyl-amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(3-fluoro-N-methyl-anilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis(3-fluoro-N-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(3-fluoro-N-methylanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis(3-fluoro-N-methyl-anilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C24H24F2N2O4 MolecularWeight: 442.455166

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=C(CC(=C(C1)C(=O)OC)N(C)C2=CC(=CC=C2)F)C(=O)OC)C3=CC(=CC=C3)F

Isomeric SMILES

CN(C1=C(CC(=C(C1)C(=O)OC)N(C)C2=CC(=CC=C2)F)C(=O)OC)C3=CC(=CC=C3)F

InChI

InChI=1S/C24H24F2N2O4/c1-27(17-9-5-7-15(25)11-17)21-13-20(24(30)32-4)22(14-19(21)23(29)31-3)28(2)18-10-6-8-16(26)12-18/h5-12H,13-14H2,1-4H3