(3R)-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: (3R)-2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate IUPAC Name: (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Formula: C12H12NO3- MolecularWeight: 218.22858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)[O-]

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2C[C@@H]1C(=O)[O-]

InChI

InChI=1S/C12H13NO3/c1-8(14)13-7-10-5-3-2-4-9(10)6-11(13)12(15)16/h2-5,11H,6-7H2,1H3,(H,15,16)/p-1/t11-/m1/s1