4-methyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylic acid

Systemtic Name: 4-methyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylic acid Openeye Name: 4-methyl-1-(prop-2-ynylcarbamoylamino)cyclohexanecarboxylic acid CAS Name: 4-methyl-1-[[oxo-(prop-2-ynylamino)methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-methyl-1-(prop-2-ynylcarbamoylamino)cyclohexane-1-carboxylic acid Traditional Name: 4-methyl-1-(propargylcarbamoylamino)cyclohexanecarboxylic acid Formula: C12H18N2O3 MolecularWeight: 238.28292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)(C(=O)O)NC(=O)NCC#C

Isomeric SMILES

CC1CCC(CC1)(C(=O)O)NC(=O)NCC#C

InChI

InChI=1S/C12H18N2O3/c1-3-8-13-11(17)14-12(10(15)16)6-4-9(2)5-7-12/h1,9H,4-8H2,2H3,(H,15,16)(H2,13,14,17)