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

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

Systemtic Name:6-(4-methoxyphenyl)-2-(phenylmethyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Openeye Name:2-benzyl-6-(4-methoxyphenyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
CAS Name:6-(4-methoxyphenyl)-2-(phenylmethyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
IUPAC Name:2-benzyl-6-(4-methoxyphenyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Traditional Name:2-benzyl-6-(4-methoxyphenyl)-3,4,6,7,8,8a-hexahydro-1H-isoquinoline-7,8-dicarboxylic acid
Formula: C25H27NO5
MolecularWeight: 421.48558
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C=C3CCN(CC3C(C2C(=O)O)C(=O)O)CC4=CC=CC=C4


Isomeric SMILES

COC1=CC=C(C=C1)C2C=C3CCN(CC3C(C2C(=O)O)C(=O)O)CC4=CC=CC=C4


InChI

InChI=1S/C25H27NO5/c1-31-19-9-7-17(8-10-19)20-13-18-11-12-26(14-16-5-3-2-4-6-16)15-21(18)23(25(29)30)22(20)24(27)28/h2-10,13,20-23H,11-12,14-15H2,1H3,(H,27,28)(H,29,30)


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