1-(3-phenylprop-2-ynoylamino)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(3-phenylprop-2-ynoylamino)cycloheptane-1-carboxylic acid Openeye Name: 1-(3-phenylprop-2-ynoylamino)cycloheptanecarboxylic acid CAS Name: 1-[(1-oxo-3-phenylprop-2-ynyl)amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-(3-phenylprop-2-ynoylamino)cycloheptane-1-carboxylic acid Traditional Name: 1-[(3-phenylpropioloyl)amino]cycloheptanecarboxylic acid Formula: C17H19NO3 MolecularWeight: 285.33766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C(=O)O)NC(=O)C#CC2=CC=CC=C2

Isomeric SMILES

C1CCCC(CC1)(C(=O)O)NC(=O)C#CC2=CC=CC=C2

InChI

InChI=1S/C17H19NO3/c19-15(11-10-14-8-4-3-5-9-14)18-17(16(20)21)12-6-1-2-7-13-17/h3-5,8-9H,1-2,6-7,12-13H2,(H,18,19)(H,20,21)