tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[6-(3-phenylmethoxypropyl)pyridin-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[6-(3-phenylmethoxypropyl)pyridin-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-(3-benzyloxypropyl)-3-pyridyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylate CAS Name: 3-(2-naphthalenylmethoxy)-4-[6-(3-phenylmethoxypropyl)-3-pyridinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(naphthalen-2-ylmethoxy)-4-[6-(3-phenylmethoxypropyl)pyridin-3-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(3-benzoxypropyl)-3-pyridyl]-3-(2-naphthylmethoxy)piperidine-1-carboxylic acid tert-butyl ester Formula: C36H42N2O4 MolecularWeight: 566.72968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=CC=CC=C3C=C2)C4=CN=C(C=C4)CCCOCC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(C(C1)OCC2=CC3=CC=CC=C3C=C2)C4=CN=C(C=C4)CCCOCC5=CC=CC=C5

InChI

InChI=1S/C36H42N2O4/c1-36(2,3)42-35(39)38-20-19-33(34(24-38)41-26-28-15-16-29-12-7-8-13-30(29)22-28)31-17-18-32(37-23-31)14-9-21-40-25-27-10-5-4-6-11-27/h4-8,10-13,15-18,22-23,33-34H,9,14,19-21,24-26H2,1-3H3