6-[[3-(4-acetamidophenoxy)-2-oxidanyl-propyl]amino]heptanoic acid

Systemtic Name: 6-[[3-(4-acetamidophenoxy)-2-oxidanyl-propyl]amino]heptanoic acid Openeye Name: 6-[[3-(4-acetamidophenoxy)-2-hydroxy-propyl]amino]heptanoic acid CAS Name: 6-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]heptanoic acid IUPAC Name: 6-[[3-(4-acetamidophenoxy)-2-hydroxypropyl]amino]heptanoic acid Traditional Name: 6-[[3-(4-acetamidophenoxy)-2-hydroxy-propyl]amino]enanthic acid Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCC(=O)O)NCC(COC1=CC=C(C=C1)NC(=O)C)O

Isomeric SMILES

CC(CCCCC(=O)O)NCC(COC1=CC=C(C=C1)NC(=O)C)O

InChI

InChI=1S/C18H28N2O5/c1-13(5-3-4-6-18(23)24)19-11-16(22)12-25-17-9-7-15(8-10-17)20-14(2)21/h7-10,13,16,19,22H,3-6,11-12H2,1-2H3,(H,20,21)(H,23,24)