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2-[4-[(4-decylphenyl)methylamino]but-2-ynyl]-2-methyl-propanedioic acid
2-[4-[(4-decylphenyl)methylamino]but-2-ynyl]-2-methyl-propanedioic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCCCCCCCCCC1=CC=C(C=C1)CNCC#CCC(C)(C(=O)O)C(=O)O
Isomeric SMILES
CCCCCCCCCCC1=CC=C(C=C1)CNCC#CCC(C)(C(=O)O)C(=O)O
InChI
InChI=1S/C25H37NO4/c1-3-4-5-6-7-8-9-10-13-21-14-16-22(17-15-21)20-26-19-12-11-18-25(2,23(27)28)24(29)30/h14-17,26H,3-10,13,18-20H2,1-2H3,(H,27,28)(H,29,30)
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