[4-[3-[2-[(3-bromophenyl)methyl]pyridin-3-yl]oxypropyl]pyridin-3-yl] ethanoate

Systemtic Name: [4-[3-[2-[(3-bromophenyl)methyl]pyridin-3-yl]oxypropyl]pyridin-3-yl] ethanoate Openeye Name: [4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridyl]oxy]propyl]-3-pyridyl] acetate CAS Name: acetic acid [4-[3-[[2-[(3-bromophenyl)methyl]-3-pyridinyl]oxy]propyl]-3-pyridinyl] ester IUPAC Name: [4-[3-[2-[(3-bromophenyl)methyl]pyridin-3-yl]oxypropyl]pyridin-3-yl] acetate Traditional Name: acetic acid [4-[3-[[2-(3-bromobenzyl)-3-pyridyl]oxy]propyl]-3-pyridyl] ester Formula: C22H21BrN2O3 MolecularWeight: 441.31774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CN=C1)CCCOC2=C(N=CC=C2)CC3=CC(=CC=C3)Br

Isomeric SMILES

CC(=O)OC1=C(C=CN=C1)CCCOC2=C(N=CC=C2)CC3=CC(=CC=C3)Br

InChI

InChI=1S/C22H21BrN2O3/c1-16(26)28-22-15-24-11-9-18(22)6-4-12-27-21-8-3-10-25-20(21)14-17-5-2-7-19(23)13-17/h2-3,5,7-11,13,15H,4,6,12,14H2,1H3