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

Systemtic Name: 3-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Openeye Name: 3-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid CAS Name: 3-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Traditional Name: 3-carbethoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)O

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)O

InChI

InChI=1S/C13H15NO4/c1-2-18-12(15)11-7-9-5-3-4-6-10(9)8-14(11)13(16)17/h3-6,11H,2,7-8H2,1H3,(H,16,17)