methyl 2-[[1-(2-pyridin-2-ylethyl)aziridin-2-yl]carbonylamino]pent-4-ynoate

Systemtic Name: methyl 2-[[1-(2-pyridin-2-ylethyl)aziridin-2-yl]carbonylamino]pent-4-ynoate Openeye Name: methyl 2-[[1-[2-(2-pyridyl)ethyl]aziridine-2-carbonyl]amino]pent-4-ynoate CAS Name: 2-[[oxo-[1-[2-(2-pyridinyl)ethyl]-2-aziridinyl]methyl]amino]-4-pentynoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-pyridin-2-ylethyl)aziridine-2-carbonyl]amino]pent-4-ynoate Traditional Name: 2-[[1-[2-(2-pyridyl)ethyl]ethylenimine-2-carbonyl]amino]pent-4-ynoic acid methyl ester Formula: C16H19N3O3 MolecularWeight: 301.34036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC#C)NC(=O)C1CN1CCC2=CC=CC=N2

Isomeric SMILES

COC(=O)C(CC#C)NC(=O)C1CN1CCC2=CC=CC=N2

InChI

InChI=1S/C16H19N3O3/c1-3-6-13(16(21)22-2)18-15(20)14-11-19(14)10-8-12-7-4-5-9-17-12/h1,4-5,7,9,13-14H,6,8,10-11H2,2H3,(H,18,20)