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

Systemtic Name: 2-ethoxy-3-[4-[3-(4-methylphenoxy)-3-oxidanylidene-propoxy]phenyl]propanoic acid; 4-phenoxybutan-1-amine Openeye Name: 2-ethoxy-3-[4-[3-(4-methylphenoxy)-3-oxo-propoxy]phenyl]propanoic acid; 4-phenoxybutan-1-amine CAS Name: 2-ethoxy-3-[4-[3-(4-methylphenoxy)-3-oxopropoxy]phenyl]propanoic acid; 4-phenoxy-1-butanamine IUPAC Name: 2-ethoxy-3-[4-[3-(4-methylphenoxy)-3-oxopropoxy]phenyl]propanoic acid; 4-phenoxybutan-1-amine Traditional Name: 2-ethoxy-3-[4-[3-keto-3-(4-methylphenoxy)propoxy]phenyl]propionic acid; 4-phenoxybutylamine Formula: C31H39NO7 MolecularWeight: 537.64386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC=C(C=C2)C)C(=O)O.C1=CC=C(C=C1)OCCCCN

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC2=CC=C(C=C2)C)C(=O)O.C1=CC=C(C=C1)OCCCCN

InChI

InChI=1S/C21H24O6.C10H15NO/c1-3-25-19(21(23)24)14-16-6-10-17(11-7-16)26-13-12-20(22)27-18-8-4-15(2)5-9-18;11-8-4-5-9-12-10-6-2-1-3-7-10/h4-11,19H,3,12-14H2,1-2H3,(H,23,24);1-3,6-7H,4-5,8-9,11H2