2-ethoxy-3-[4-[3-(2-methoxyethoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; octan-1-amine

Systemtic Name: 2-ethoxy-3-[4-[3-(2-methoxyethoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; octan-1-amine Openeye Name: 2-ethoxy-3-[4-[3-(2-methoxyethoxy)-3-oxo-propoxy]phenyl]propanoic acid; octan-1-amine CAS Name: 2-ethoxy-3-[4-[3-(2-methoxyethoxy)-3-oxopropoxy]phenyl]propanoic acid; 1-octanamine IUPAC Name: 2-ethoxy-3-[4-[3-(2-methoxyethoxy)-3-oxopropoxy]phenyl]propanoic acid; octan-1-amine Traditional Name: 2-ethoxy-3-[4-[3-keto-3-(2-methoxyethoxy)propoxy]phenyl]propionic acid; octylamine Formula: C25H43NO7 MolecularWeight: 469.61142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OCCOC)C(=O)O

Isomeric SMILES

CCCCCCCCN.CCOC(CC1=CC=C(C=C1)OCCC(=O)OCCOC)C(=O)O

InChI

InChI=1S/C17H24O7.C8H19N/c1-3-22-15(17(19)20)12-13-4-6-14(7-5-13)23-9-8-16(18)24-11-10-21-2;1-2-3-4-5-6-7-8-9/h4-7,15H,3,8-12H2,1-2H3,(H,19,20);2-9H2,1H3