tert-butyl N-[1-[3-(6-chloranylpyridin-3-yl)-2-methyl-3-oxidanylidene-propyl]pyrrolidin-3-yl]carbamate

Systemtic Name: tert-butyl N-[1-[3-(6-chloranylpyridin-3-yl)-2-methyl-3-oxidanylidene-propyl]pyrrolidin-3-yl]carbamate Openeye Name: tert-butyl N-[1-[3-(6-chloro-3-pyridyl)-2-methyl-3-oxo-propyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[3-(6-chloro-3-pyridinyl)-2-methyl-3-oxopropyl]-3-pyrrolidinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[3-(6-chloropyridin-3-yl)-2-methyl-3-oxopropyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-[3-(6-chloro-3-pyridyl)-3-keto-2-methyl-propyl]pyrrolidin-3-yl]carbamic acid tert-butyl ester Formula: C18H26ClN3O3 MolecularWeight: 367.87034

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1CCC(C1)NC(=O)OC(C)(C)C)C(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(CN1CCC(C1)NC(=O)OC(C)(C)C)C(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-12(16(23)13-5-6-15(19)20-9-13)10-22-8-7-14(11-22)21-17(24)25-18(2,3)4/h5-6,9,12,14H,7-8,10-11H2,1-4H3,(H,21,24)