2-[4-[[(4-dec-1-ynylphenyl)methyl-hexanoyl-amino]methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[4-[[(4-dec-1-ynylphenyl)methyl-hexanoyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[(4-dec-1-ynylphenyl)methyl-hexanoyl-amino]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[(4-dec-1-ynylphenyl)methyl-(1-oxohexyl)amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[(4-dec-1-ynylphenyl)methyl-hexanoylamino]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[caproyl-(4-dec-1-ynylbenzyl)amino]methyl]phenoxy]acetic acid Formula: C32H43NO4 MolecularWeight: 505.68812

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OCC(=O)O)C(=O)CCCCC

Isomeric SMILES

CCCCCCCCC#CC1=CC=C(C=C1)CN(CC2=CC=C(C=C2)OCC(=O)O)C(=O)CCCCC

InChI

InChI=1S/C32H43NO4/c1-3-5-7-8-9-10-11-13-14-27-16-18-28(19-17-27)24-33(31(34)15-12-6-4-2)25-29-20-22-30(23-21-29)37-26-32(35)36/h16-23H,3-12,15,24-26H2,1-2H3,(H,35,36)