2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-ethanoyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-acetyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)O

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=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)