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ethyl 2-[2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate

ethyl 2-[2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate

Systemtic Name:ethyl 2-[2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate
Openeye Name:ethyl 2-[2-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetate
CAS Name:2-[2-[[4-(3-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetic acid ethyl ester
IUPAC Name:ethyl 2-[2-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetate
Traditional Name:2-[2-[[4-(3-pyridylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetic acid ethyl ester
Formula: C22H29N3O3
MolecularWeight: 383.48396
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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=CC=C1CN2CCCN(CC2)CC3=CN=CC=C3


Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1CN2CCCN(CC2)CC3=CN=CC=C3


InChI

InChI=1S/C22H29N3O3/c1-2-27-22(26)18-28-21-9-4-3-8-20(21)17-25-12-6-11-24(13-14-25)16-19-7-5-10-23-15-19/h3-5,7-10,15H,2,6,11-14,16-18H2,1H3


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