3-[2-hydroxyethyl-[[5-[(E)-8-phenyloct-7-enoyl]pyridin-2-yl]methyl]amino]propanoic acid

Systemtic Name: 3-[2-hydroxyethyl-[[5-[(E)-8-phenyloct-7-enoyl]pyridin-2-yl]methyl]amino]propanoic acid Openeye Name: 3-[2-hydroxyethyl-[[5-[(E)-8-phenyloct-7-enoyl]-2-pyridyl]methyl]amino]propanoic acid CAS Name: 3-[2-hydroxyethyl-[[5-[(E)-1-oxo-8-phenyloct-7-enyl]-2-pyridinyl]methyl]amino]propanoic acid IUPAC Name: 3-[2-hydroxyethyl-[[5-[(E)-8-phenyloct-7-enoyl]pyridin-2-yl]methyl]amino]propanoic acid Traditional Name: 3-[2-hydroxyethyl-[[5-[(E)-8-phenyloct-7-enoyl]-2-pyridyl]methyl]amino]propionic acid Formula: C25H32N2O4 MolecularWeight: 424.53258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CCCCCCC(=O)C2=CN=C(C=C2)CN(CCC(=O)O)CCO

Isomeric SMILES

C1=CC=C(C=C1)/C=C/CCCCCC(=O)C2=CN=C(C=C2)CN(CCC(=O)O)CCO

InChI

InChI=1S/C25H32N2O4/c28-18-17-27(16-15-25(30)31)20-23-14-13-22(19-26-23)24(29)12-8-3-1-2-5-9-21-10-6-4-7-11-21/h4-7,9-11,13-14,19,28H,1-3,8,12,15-18,20H2,(H,30,31)/b9-5+