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

Systemtic Name: dimethyl 2,5-bis[cyclohexyl-(2-fluorophenyl)amino]cyclohexa-1,4-diene-1,4-dicarboxylate Openeye Name: dimethyl 2,5-bis(N-cyclohexyl-2-fluoro-anilino)cyclohexa-1,4-diene-1,4-dicarboxylate CAS Name: 2,5-bis(N-cyclohexyl-2-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2,5-bis(N-cyclohexyl-2-fluoroanilino)cyclohexa-1,4-diene-1,4-dicarboxylate Traditional Name: 2,5-bis(N-cyclohexyl-2-fluoro-anilino)cyclohexa-1,4-diene-1,4-dicarboxylic acid dimethyl ester Formula: C34H40F2N2O4 MolecularWeight: 578.689206

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CC(=C(C1)N(C2CCCCC2)C3=CC=CC=C3F)C(=O)OC)N(C4CCCCC4)C5=CC=CC=C5F

Isomeric SMILES

COC(=O)C1=C(CC(=C(C1)N(C2CCCCC2)C3=CC=CC=C3F)C(=O)OC)N(C4CCCCC4)C5=CC=CC=C5F

InChI

InChI=1S/C34H40F2N2O4/c1-41-33(39)25-21-32(38(24-15-7-4-8-16-24)30-20-12-10-18-28(30)36)26(34(40)42-2)22-31(25)37(23-13-5-3-6-14-23)29-19-11-9-17-27(29)35/h9-12,17-20,23-24H,3-8,13-16,21-22H2,1-2H3