piperazin-1-yl 1-butyl-4,4-bis(4-fluorophenyl)cyclohexa-2,5-diene-1-carboxylate

Systemtic Name: piperazin-1-yl 1-butyl-4,4-bis(4-fluorophenyl)cyclohexa-2,5-diene-1-carboxylate Openeye Name: piperazin-1-yl 1-butyl-4,4-bis(4-fluorophenyl)cyclohexa-2,5-diene-1-carboxylate CAS Name: 1-butyl-4,4-bis(4-fluorophenyl)-1-cyclohexa-2,5-dienecarboxylic acid 1-piperazinyl ester IUPAC Name: piperazin-1-yl 1-butyl-4,4-bis(4-fluorophenyl)cyclohexa-2,5-diene-1-carboxylate Traditional Name: 1-butyl-4,4-bis(4-fluorophenyl)cyclohexa-2,5-diene-1-carboxylic acid piperazino ester Formula: C27H30F2N2O2 MolecularWeight: 452.536106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(C=C1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)ON4CCNCC4

Isomeric SMILES

CCCCC1(C=CC(C=C1)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)C(=O)ON4CCNCC4

InChI

InChI=1S/C27H30F2N2O2/c1-2-3-12-26(25(32)33-31-19-17-30-18-20-31)13-15-27(16-14-26,21-4-8-23(28)9-5-21)22-6-10-24(29)11-7-22/h4-11,13-16,30H,2-3,12,17-20H2,1H3