3-(5-acetamido-6-bromanyl-2,3-dihydro-1H-inden-1-yl)propanoic acid

Systemtic Name: 3-(5-acetamido-6-bromanyl-2,3-dihydro-1H-inden-1-yl)propanoic acid Openeye Name: 3-(5-acetamido-6-bromo-indan-1-yl)propanoic acid CAS Name: 3-(5-acetamido-6-bromo-2,3-dihydro-1H-inden-1-yl)propanoic acid IUPAC Name: 3-(5-acetamido-6-bromo-2,3-dihydro-1H-inden-1-yl)propanoic acid Traditional Name: 3-(5-acetamido-6-bromo-indan-1-yl)propionic acid Formula: C14H16BrNO3 MolecularWeight: 326.18574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(CCC2=C1)CCC(=O)O)Br

Isomeric SMILES

CC(=O)NC1=C(C=C2C(CCC2=C1)CCC(=O)O)Br

InChI

InChI=1S/C14H16BrNO3/c1-8(17)16-13-6-10-3-2-9(4-5-14(18)19)11(10)7-12(13)15/h6-7,9H,2-5H2,1H3,(H,16,17)(H,18,19)