1-(prop-2-ynylcarbamoylamino)cycloheptane-1-carboxylate

Systemtic Name: 1-(prop-2-ynylcarbamoylamino)cycloheptane-1-carboxylate Openeye Name: 1-(prop-2-ynylcarbamoylamino)cycloheptanecarboxylate CAS Name: 1-[[oxo-(prop-2-ynylamino)methyl]amino]-1-cycloheptanecarboxylate IUPAC Name: 1-(prop-2-ynylcarbamoylamino)cycloheptane-1-carboxylate Traditional Name: 1-(propargylcarbamoylamino)cycloheptanecarboxylate Formula: C12H17N2O3- MolecularWeight: 237.27498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H18N2O3/c1-2-9-13-11(17)14-12(10(15)16)7-5-3-4-6-8-12/h1H,3-9H2,(H,15,16)(H2,13,14,17)/p-1