2-[(4-methylphenyl)carbonylamino]pent-4-ynoic acid

Systemtic Name: 2-[(4-methylphenyl)carbonylamino]pent-4-ynoic acid Openeye Name: 2-[(4-methylbenzoyl)amino]pent-4-ynoic acid CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]-4-pentynoic acid IUPAC Name: 2-[(4-methylbenzoyl)amino]pent-4-ynoic acid Traditional Name: 2-(p-toluoylamino)pent-4-ynoic acid Formula: C13H13NO3 MolecularWeight: 231.24722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(CC#C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(CC#C)C(=O)O

InChI

InChI=1S/C13H13NO3/c1-3-4-11(13(16)17)14-12(15)10-7-5-9(2)6-8-10/h1,5-8,11H,4H2,2H3,(H,14,15)(H,16,17)