O1-azanyl O3-tert-butyl 2-(3-pyridin-4-ylprop-2-ynyl)propanedioate

Systemtic Name: O1-azanyl O3-tert-butyl 2-(3-pyridin-4-ylprop-2-ynyl)propanedioate Openeye Name: O1-amino O3-tert-butyl 2-[3-(4-pyridyl)prop-2-ynyl]propanedioate CAS Name: 2-(3-pyridin-4-ylprop-2-ynyl)propanedioic acid O1-amino ester O3-tert-butyl ester IUPAC Name: 1-O-amino 3-O-tert-butyl 2-(3-pyridin-4-ylprop-2-ynyl)propanedioate Traditional Name: 2-[3-(4-pyridyl)prop-2-ynyl]malonic acid O1-amino ester O3-tert-butyl ester Formula: C15H18N2O4 MolecularWeight: 290.31442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC#CC1=CC=NC=C1)C(=O)ON

Isomeric SMILES

CC(C)(C)OC(=O)C(CC#CC1=CC=NC=C1)C(=O)ON

InChI

InChI=1S/C15H18N2O4/c1-15(2,3)20-13(18)12(14(19)21-16)6-4-5-11-7-9-17-10-8-11/h7-10,12H,6,16H2,1-3H3