5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 5-acetamido-2-methyl-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC2=C1CCN(C2C(=O)O)C

Isomeric SMILES

CC(=O)NC1=CC=CC2=C1CCN(C2C(=O)O)C

InChI

InChI=1S/C13H16N2O3/c1-8(16)14-11-5-3-4-10-9(11)6-7-15(2)12(10)13(17)18/h3-5,12H,6-7H2,1-2H3,(H,14,16)(H,17,18)