tert-butyl 4-[4-[(4-ethoxycarbonyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[(4-ethoxycarbonyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]-2-fluoranyl-phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[(4-ethoxycarbonyl-3-oxo-5-phenyl-cyclohexen-1-yl)amino]-2-fluoro-phenyl]piperazine-1-carboxylate CAS Name: 4-[4-[(4-ethoxycarbonyl-3-oxo-5-phenyl-1-cyclohexenyl)amino]-2-fluorophenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[(4-ethoxycarbonyl-3-oxo-5-phenylcyclohexen-1-yl)amino]-2-fluorophenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-carbethoxy-3-keto-5-phenyl-cyclohexen-1-yl)amino]-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C30H36FN3O5 MolecularWeight: 537.622343

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)F)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1C(CC(=CC1=O)NC2=CC(=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C)F)C4=CC=CC=C4

InChI

InChI=1S/C30H36FN3O5/c1-5-38-28(36)27-23(20-9-7-6-8-10-20)17-22(19-26(27)35)32-21-11-12-25(24(31)18-21)33-13-15-34(16-14-33)29(37)39-30(2,3)4/h6-12,18-19,23,27,32H,5,13-17H2,1-4H3