tert-butyl N-[6-[(5S)-2-oxidanylidene-5-pyridin-3-yl-pyrrolidin-1-yl]hexyl]carbamate

Systemtic Name: tert-butyl N-[6-[(5S)-2-oxidanylidene-5-pyridin-3-yl-pyrrolidin-1-yl]hexyl]carbamate Openeye Name: tert-butyl N-[6-[(5S)-2-oxo-5-(3-pyridyl)pyrrolidin-1-yl]hexyl]carbamate CAS Name: N-[6-[(5S)-2-oxo-5-(3-pyridinyl)-1-pyrrolidinyl]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[6-[(5S)-2-oxo-5-pyridin-3-ylpyrrolidin-1-yl]hexyl]carbamate Traditional Name: N-[6-[(5S)-2-keto-5-(3-pyridyl)pyrrolidino]hexyl]carbamic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCN1C(CCC1=O)C2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCN1[C@@H](CCC1=O)C2=CN=CC=C2

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(25)22-13-6-4-5-7-14-23-17(10-11-18(23)24)16-9-8-12-21-15-16/h8-9,12,15,17H,4-7,10-11,13-14H2,1-3H3,(H,22,25)/t17-/m0/s1