tert-butyl 4-[3-(2-cyanopyridin-4-yl)propoxymethyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(2-cyanopyridin-4-yl)propoxymethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(2-cyano-4-pyridyl)propoxymethyl]piperidine-1-carboxylate CAS Name: 4-[3-(2-cyano-4-pyridinyl)propoxymethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(2-cyanopyridin-4-yl)propoxymethyl]piperidine-1-carboxylate Traditional Name: 4-[3-(2-cyano-4-pyridyl)propoxymethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29N3O3 MolecularWeight: 359.46256

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COCCCC2=CC(=NC=C2)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COCCCC2=CC(=NC=C2)C#N

InChI

InChI=1S/C20H29N3O3/c1-20(2,3)26-19(24)23-10-7-17(8-11-23)15-25-12-4-5-16-6-9-22-18(13-16)14-21/h6,9,13,17H,4-5,7-8,10-12,15H2,1-3H3