tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-3-methyl-2-oxidanyl-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-3-methyl-2-oxidanyl-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-3-methyl-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-3-methylbut-3-enyl]-4-nitrophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-3-methylbut-3-enyl]-4-nitrophenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[(E)-4-(3-cyanophenyl)-2-hydroxy-3-methyl-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H33N3O6 MolecularWeight: 507.57812

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=CC(=C1)C#N)C(CC2=C(C=CC(=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-])O

Isomeric SMILES

C/C(=C\C1=CC=CC(=C1)C#N)/C(CC2=C(C=CC(=C2)OC3CCN(CC3)C(=O)OC(C)(C)C)[N+](=O)[O-])O

InChI

InChI=1S/C28H33N3O6/c1-19(14-20-6-5-7-21(15-20)18-29)26(32)17-22-16-24(8-9-25(22)31(34)35)36-23-10-12-30(13-11-23)27(33)37-28(2,3)4/h5-9,14-16,23,26,32H,10-13,17H2,1-4H3/b19-14+