6-[(3-ethynylphenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(3-ethynylphenyl)carbamoylamino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-[(3-ethynylphenyl)carbamoylamino]-6-oxo-hexanoic acid CAS Name: 6-[[(3-ethynylanilino)-oxomethyl]amino]-6-oxohexanoic acid IUPAC Name: 6-[(3-ethynylphenyl)carbamoylamino]-6-oxohexanoic acid Traditional Name: 6-[(3-ethynylphenyl)carbamoylamino]-6-keto-hexanoic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N2O4/c1-2-11-6-5-7-12(10-11)16-15(21)17-13(18)8-3-4-9-14(19)20/h1,5-7,10H,3-4,8-9H2,(H,19,20)(H2,16,17,18,21)