tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-nitro-phenoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]-4-nitro-phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-nitro-phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-[2-(7-cyano-2-naphthalenyl)-2-hydroxyethyl]-4-nitrophenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[2-(7-cyanonaphthalen-2-yl)-2-hydroxyethyl]-4-nitrophenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]-4-nitro-phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H31N3O6 MolecularWeight: 517.57294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC(=C(C=C2)[N+](=O)[O-])CC(C3=CC4=C(C=CC(=C4)C#N)C=C3)O

InChI

InChI=1S/C29H31N3O6/c1-29(2,3)38-28(34)31-12-10-24(11-13-31)37-25-8-9-26(32(35)36)23(16-25)17-27(33)21-7-6-20-5-4-19(18-30)14-22(20)15-21/h4-9,14-16,24,27,33H,10-13,17H2,1-3H3