tert-butyl 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 3-[[2-[4-(3-methoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C28H39NO4 MolecularWeight: 453.61356

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC(C1)COC2=CC=CC=C2CCCCC3=CC(=CC=C3)OC

InChI

InChI=1S/C28H39NO4/c1-28(2,3)33-27(30)29-18-10-13-23(20-29)21-32-26-17-8-7-15-24(26)14-6-5-11-22-12-9-16-25(19-22)31-4/h7-9,12,15-17,19,23H,5-6,10-11,13-14,18,20-21H2,1-4H3