tert-butyl 1-[[3-(3-azanylpropoxy)phenyl]methyl]piperidine-4-carboxylate

Systemtic Name: tert-butyl 1-[[3-(3-azanylpropoxy)phenyl]methyl]piperidine-4-carboxylate Openeye Name: tert-butyl 1-[[3-(3-aminopropoxy)phenyl]methyl]piperidine-4-carboxylate CAS Name: 1-[[3-(3-aminopropoxy)phenyl]methyl]-4-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[[3-(3-aminopropoxy)phenyl]methyl]piperidine-4-carboxylate Traditional Name: 1-[3-(3-aminopropoxy)benzyl]isonipecotic acid tert-butyl ester Formula: C20H32N2O3 MolecularWeight: 348.47968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCCCN

Isomeric SMILES

CC(C)(C)OC(=O)C1CCN(CC1)CC2=CC(=CC=C2)OCCCN

InChI

InChI=1S/C20H32N2O3/c1-20(2,3)25-19(23)17-8-11-22(12-9-17)15-16-6-4-7-18(14-16)24-13-5-10-21/h4,6-7,14,17H,5,8-13,15,21H2,1-3H3