1-(but-3-ynylcarbamoylamino)cycloheptane-1-carboxylate

Systemtic Name: 1-(but-3-ynylcarbamoylamino)cycloheptane-1-carboxylate Openeye Name: 1-(but-3-ynylcarbamoylamino)cycloheptanecarboxylate CAS Name: 1-[[(but-3-ynylamino)-oxomethyl]amino]-1-cycloheptanecarboxylate IUPAC Name: 1-(but-3-ynylcarbamoylamino)cycloheptane-1-carboxylate Traditional Name: 1-(but-3-ynylcarbamoylamino)cycloheptanecarboxylate Formula: C13H19N2O3- MolecularWeight: 251.30156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCCNC(=O)NC1(CCCCCC1)C(=O)[O-]

Isomeric SMILES

C#CCCNC(=O)NC1(CCCCCC1)C(=O)[O-]

InChI

InChI=1S/C13H20N2O3/c1-2-3-10-14-12(18)15-13(11(16)17)8-6-4-5-7-9-13/h1H,3-10H2,(H,16,17)(H2,14,15,18)/p-1