[4-[2-[[3-(4-azanylpyridin-3-yl)-3-oxidanyl-propyl]amino]ethoxy]phenyl] ethanoate

Systemtic Name: [4-[2-[[3-(4-azanylpyridin-3-yl)-3-oxidanyl-propyl]amino]ethoxy]phenyl] ethanoate Openeye Name: [4-[2-[[3-(4-amino-3-pyridyl)-3-hydroxy-propyl]amino]ethoxy]phenyl] acetate CAS Name: acetic acid [4-[2-[[3-(4-amino-3-pyridinyl)-3-hydroxypropyl]amino]ethoxy]phenyl] ester IUPAC Name: [4-[2-[[3-(4-aminopyridin-3-yl)-3-hydroxypropyl]amino]ethoxy]phenyl] acetate Traditional Name: acetic acid [4-[2-[[3-(4-amino-3-pyridyl)-3-hydroxy-propyl]amino]ethoxy]phenyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)OCCNCCC(C2=C(C=CN=C2)N)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)OCCNCCC(C2=C(C=CN=C2)N)O

InChI

InChI=1S/C18H23N3O4/c1-13(22)25-15-4-2-14(3-5-15)24-11-10-20-9-7-18(23)16-12-21-8-6-17(16)19/h2-6,8,12,18,20,23H,7,9-11H2,1H3,(H2,19,21)