3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid

Systemtic Name: 3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid Openeye Name: 3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid CAS Name: 3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid IUPAC Name: 3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid Traditional Name: 3-methyl-1,4-dihydroisoquinoline-2,3-dicarboxylic acid Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=CC=CC=C2CN1C(=O)O)C(=O)O

Isomeric SMILES

CC1(CC2=CC=CC=C2CN1C(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO4/c1-12(10(14)15)6-8-4-2-3-5-9(8)7-13(12)11(16)17/h2-5H,6-7H2,1H3,(H,14,15)(H,16,17)