2-(4-pyren-1-ylbutanoylamino)ethanoate

Systemtic Name: 2-(4-pyren-1-ylbutanoylamino)ethanoate Openeye Name: 2-(4-pyren-1-ylbutanoylamino)acetate CAS Name: 2-[[1-oxo-4-(1-pyrenyl)butyl]amino]acetate IUPAC Name: 2-(4-pyren-1-ylbutanoylamino)acetate Traditional Name: 2-(4-pyren-1-ylbutanoylamino)acetate Formula: C22H18NO3- MolecularWeight: 344.38322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NCC(=O)[O-]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CCCC(=O)NCC(=O)[O-]

InChI

InChI=1S/C22H19NO3/c24-19(23-13-20(25)26)6-2-3-14-7-8-17-10-9-15-4-1-5-16-11-12-18(14)22(17)21(15)16/h1,4-5,7-12H,2-3,6,13H2,(H,23,24)(H,25,26)/p-1