tert-butyl (3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]pyrrolidine-1-carboxylate Openeye Name: tert-butyl (3E)-3-[3-(6-methyl-2-pyridyl)prop-2-ynylidene]pyrrolidine-1-carboxylate CAS Name: (3E)-3-[3-(6-methyl-2-pyridinyl)prop-2-ynylidene]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3E)-3-[3-(6-methylpyridin-2-yl)prop-2-ynylidene]pyrrolidine-1-carboxylate Traditional Name: (3E)-3-[3-(6-methyl-2-pyridyl)prop-2-ynylidene]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C18H22N2O2 MolecularWeight: 298.37948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=N1)C#CC=C2CCN(C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC(=N1)C#C/C=C/2\CCN(C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N2O2/c1-14-7-5-9-16(19-14)10-6-8-15-11-12-20(13-15)17(21)22-18(2,3)4/h5,7-9H,11-13H2,1-4H3/b15-8+