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

Systemtic Name: tert-butyl 3-[[2-[4-(3-ethoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 3-[[2-[4-(3-ethoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate CAS Name: 3-[[2-[4-(3-ethoxyphenyl)butyl]phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[2-[4-(3-ethoxyphenyl)butyl]phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 3-[[2-(4-m-phenetylbutyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C29H41NO4 MolecularWeight: 467.64014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCCN(C3)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC1=CC=CC(=C1)CCCCC2=CC=CC=C2OCC3CCCN(C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H41NO4/c1-5-32-26-17-10-13-23(20-26)12-6-7-15-25-16-8-9-18-27(25)33-22-24-14-11-19-30(21-24)28(31)34-29(2,3)4/h8-10,13,16-18,20,24H,5-7,11-12,14-15,19,21-22H2,1-4H3