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

Systemtic Name: ethyl 2-[2-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[2-[[4-(2-pyridylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetate CAS Name: 2-[2-[[4-(2-pyridinylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]phenoxy]acetate Traditional Name: 2-[2-[[4-(2-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=CC=CC=N3

Isomeric SMILES

CCOC(=O)COC1=CC=CC=C1CN2CCCN(CC2)CC3=CC=CC=N3

InChI

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