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

Systemtic Name: tert-butyl 4-[3-azanyl-4-[2-(7-cyanonaphthalen-2-yl)-2-oxidanyl-ethyl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-amino-4-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[3-amino-4-[2-(7-cyano-2-naphthalenyl)-2-hydroxyethyl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-amino-4-[2-(7-cyanonaphthalen-2-yl)-2-hydroxyethyl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[3-amino-4-[2-(7-cyano-2-naphthyl)-2-hydroxy-ethyl]phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H33N3O4 MolecularWeight: 487.59002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N3O4/c1-29(2,3)36-28(34)32-12-10-24(11-13-32)35-25-9-8-21(26(31)17-25)16-27(33)22-7-6-20-5-4-19(18-30)14-23(20)15-22/h4-9,14-15,17,24,27,33H,10-13,16,31H2,1-3H3