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

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

Systemtic Name:2-methyl-6-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Openeye Name:2-methyl-6-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
CAS Name:2-methyl-6-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
IUPAC Name:2-methyl-6-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Traditional Name:2-methyl-6-phenyl-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Formula: C18H21NO4
MolecularWeight: 315.36364
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H21NO4/c1-19-8-7-12-9-13(11-5-3-2-4-6-11)15(17(20)21)16(18(22)23)14(12)10-19/h2-6,9,13-16H,7-8,10H2,1H3,(H,20,21)(H,22,23)


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