tert-butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylate

Systemtic Name: tert-butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylate Openeye Name: tert-butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylate CAS Name: 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)-1-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylate Traditional Name: 4-(cyanomethyl)-2-(5,5-dimethyl-1,3-dioxan-2-yl)pyrrole-1-carboxylic acid tert-butyl ester Formula: C17H24N2O4 MolecularWeight: 320.38346

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC(=CN2C(=O)OC(C)(C)C)CC#N)C

Isomeric SMILES

CC1(COC(OC1)C2=CC(=CN2C(=O)OC(C)(C)C)CC#N)C

InChI

InChI=1S/C17H24N2O4/c1-16(2,3)23-15(20)19-9-12(6-7-18)8-13(19)14-21-10-17(4,5)11-22-14/h8-9,14H,6,10-11H2,1-5H3