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

Systemtic Name: 7-ethanoyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 7-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 7-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 7-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 7-acetyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(CCN(C2)C(=O)O)C=C1

Isomeric SMILES

CC(=O)C1=CC2=C(CCN(C2)C(=O)O)C=C1

InChI

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