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2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid

2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid

Systemtic Name:2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid
Openeye Name:2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid
CAS Name:2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid
IUPAC Name:2-[4-[[(4-dec-1-ynylphenyl)methylamino]methyl]phenoxy]propanoic acid
Traditional Name:2-[4-[[(4-dec-1-ynylbenzyl)amino]methyl]phenoxy]propionic acid
Formula: C27H35NO3
MolecularWeight: 421.5717
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC(C)C(=O)O


Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC(C)C(=O)O


InChI

InChI=1S/C27H35NO3/c1-3-4-5-6-7-8-9-10-11-23-12-14-24(15-13-23)20-28-21-25-16-18-26(19-17-25)31-22(2)27(29)30/h12-19,22,28H,3-9,20-21H2,1-2H3,(H,29,30)


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