2-ethoxy-3-[4-(3-oxidanylidene-3-propan-2-yloxy-propoxy)phenyl]propanoic acid; 2-phenoxyethanamine

Systemtic Name: 2-ethoxy-3-[4-(3-oxidanylidene-3-propan-2-yloxy-propoxy)phenyl]propanoic acid; 2-phenoxyethanamine Openeye Name: 2-ethoxy-3-[4-(3-isopropoxy-3-oxo-propoxy)phenyl]propanoic acid; 2-phenoxyethanamine CAS Name: 2-ethoxy-3-[4-(3-oxo-3-propan-2-yloxypropoxy)phenyl]propanoic acid; 2-phenoxyethanamine IUPAC Name: 2-ethoxy-3-[4-(3-oxo-3-propan-2-yloxypropoxy)phenyl]propanoic acid; 2-phenoxyethanamine Traditional Name: 2-ethoxy-3-[4-(3-isopropoxy-3-keto-propoxy)phenyl]propionic acid; 2-phenoxyethylamine Formula: C25H35NO7 MolecularWeight: 461.5479

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC(C)C)C(=O)O.C1=CC=C(C=C1)OCCN

Isomeric SMILES

CCOC(CC1=CC=C(C=C1)OCCC(=O)OC(C)C)C(=O)O.C1=CC=C(C=C1)OCCN

InChI

InChI=1S/C17H24O6.C8H11NO/c1-4-21-15(17(19)20)11-13-5-7-14(8-6-13)22-10-9-16(18)23-12(2)3;9-6-7-10-8-4-2-1-3-5-8/h5-8,12,15H,4,9-11H2,1-3H3,(H,19,20);1-5H,6-7,9H2