tert-butyl 4-[3-[(3E)-3-[(3-cyanophenyl)methylidene]-2-oxidanyl-pentyl]-4-nitro-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3E)-3-[(3-cyanophenyl)methylidene]-2-oxidanyl-pentyl]-4-nitro-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[(3E)-3-[(3-cyanophenyl)methylene]-2-hydroxy-pentyl]-4-nitro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[(3E)-3-[(3-cyanophenyl)methylidene]-2-hydroxypentyl]-4-nitrophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[(3E)-3-[(3-cyanophenyl)methylidene]-2-hydroxypentyl]-4-nitrophenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[(E)-4-(3-cyanophenyl)-3-ethyl-2-hydroxy-but-3-enyl]-4-nitro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H35N3O6 MolecularWeight: 521.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=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

CC/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/C29H35N3O6/c1-5-22(16-20-7-6-8-21(15-20)19-30)27(33)18-23-17-25(9-10-26(23)32(35)36)37-24-11-13-31(14-12-24)28(34)38-29(2,3)4/h6-10,15-17,24,27,33H,5,11-14,18H2,1-4H3/b22-16+