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(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid

(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid

Systemtic Name:(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid
Openeye Name:(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid
CAS Name:(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid
IUPAC Name:(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid
Traditional Name:(3S)-3-methyl-2,4-dihydro-1H-isoquinoline-3,6-dicarboxylic acid
Formula: C12H13NO4
MolecularWeight: 235.23592
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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(CN1)C=CC(=C2)C(=O)O)C(=O)O


Isomeric SMILES

C[C@]1(CC2=C(CN1)C=CC(=C2)C(=O)O)C(=O)O


InChI

InChI=1S/C12H13NO4/c1-12(11(16)17)5-9-4-7(10(14)15)2-3-8(9)6-13-12/h2-4,13H,5-6H2,1H3,(H,14,15)(H,16,17)/t12-/m0/s1


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