2-[2-[(4-azanylbutylamino)methyl]phenoxy]ethanoic acid

Systemtic Name: 2-[2-[(4-azanylbutylamino)methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-[(4-aminobutylamino)methyl]phenoxy]acetic acid CAS Name: 2-[2-[(4-aminobutylamino)methyl]phenoxy]acetic acid IUPAC Name: 2-[2-[(4-aminobutylamino)methyl]phenoxy]acetic acid Traditional Name: 2-[2-[(4-aminobutylamino)methyl]phenoxy]acetic acid Formula: C13H20N2O3 MolecularWeight: 252.3095

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNCCCCN)OCC(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CNCCCCN)OCC(=O)O

InChI

InChI=1S/C13H20N2O3/c14-7-3-4-8-15-9-11-5-1-2-6-12(11)18-10-13(16)17/h1-2,5-6,15H,3-4,7-10,14H2,(H,16,17)