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

Systemtic Name: tert-butyl 4-[2-fluoranyl-4-[(4-methoxycarbonyl-3-oxidanylidene-5-phenyl-cyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-fluoro-4-[(4-methoxycarbonyl-3-oxo-5-phenyl-cyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-fluoro-4-[(4-methoxycarbonyl-3-oxo-5-phenyl-1-cyclohexenyl)amino]phenyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-fluoro-4-[(4-methoxycarbonyl-3-oxo-5-phenylcyclohexen-1-yl)amino]phenyl]piperazine-1-carboxylate Traditional Name: 4-[4-[(4-carbomethoxy-3-keto-5-phenyl-cyclohexen-1-yl)amino]-2-fluoro-phenyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C29H34FN3O5 MolecularWeight: 523.595763

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC3=CC(=O)C(C(C3)C4=CC=CC=C4)C(=O)OC)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)NC3=CC(=O)C(C(C3)C4=CC=CC=C4)C(=O)OC)F

InChI

InChI=1S/C29H34FN3O5/c1-29(2,3)38-28(36)33-14-12-32(13-15-33)24-11-10-20(17-23(24)30)31-21-16-22(19-8-6-5-7-9-19)26(25(34)18-21)27(35)37-4/h5-11,17-18,22,26,31H,12-16H2,1-4H3