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6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid

6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid

Systemtic Name:6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Openeye Name:6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
CAS Name:6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
IUPAC Name:6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Traditional Name:6-(4-carboxyphenyl)-2-methyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Formula: C19H21NO6
MolecularWeight: 359.37314
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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(C(C(C2C1)C(=O)O)C(=O)O)C3=CC=C(C=C3)C(=O)O


Isomeric SMILES

CN1CCC2=CC(C(C(C2C1)C(=O)O)C(=O)O)C3=CC=C(C=C3)C(=O)O


InChI

InChI=1S/C19H21NO6/c1-20-7-6-12-8-13(10-2-4-11(5-3-10)17(21)22)15(18(23)24)16(19(25)26)14(12)9-20/h2-5,8,13-16H,6-7,9H2,1H3,(H,21,22)(H,23,24)(H,25,26)


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