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

Systemtic Name: 2-[4-[[(4-dec-1-ynylphenyl)methyl-ethanoyl-amino]methyl]phenoxy]ethanoic acid Openeye Name: 2-[4-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenoxy]acetic acid CAS Name: 2-[4-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenoxy]acetic acid IUPAC Name: 2-[4-[[acetyl-[(4-dec-1-ynylphenyl)methyl]amino]methyl]phenoxy]acetic acid Traditional Name: 2-[4-[[acetyl-(4-dec-1-ynylbenzyl)amino]methyl]phenoxy]acetic acid Formula: C28H35NO4 MolecularWeight: 449.5818

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H35NO4/c1-3-4-5-6-7-8-9-10-11-24-12-14-25(15-13-24)20-29(23(2)30)21-26-16-18-27(19-17-26)33-22-28(31)32/h12-19H,3-9,20-22H2,1-2H3,(H,31,32)