2-[(4-chloranyl-2-ethoxy-phenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane

Systemtic Name: 2-[(4-chloranyl-2-ethoxy-phenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane Openeye Name: 2-[(4-chloro-2-ethoxy-phenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane CAS Name: 2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane IUPAC Name: 2-[(4-chloro-2-ethoxyphenoxy)methyl]-4-[(4-chlorophenyl)methyl]-1,4-oxazepane Traditional Name: 4-(4-chlorobenzyl)-2-[(4-chloro-2-ethoxy-phenoxy)methyl]-1,4-oxazepane Formula: C21H25Cl2NO3 MolecularWeight: 410.3341

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)Cl)OCC2CN(CCCO2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=C(C=CC(=C1)Cl)OCC2CN(CCCO2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25Cl2NO3/c1-2-25-21-12-18(23)8-9-20(21)27-15-19-14-24(10-3-11-26-19)13-16-4-6-17(22)7-5-16/h4-9,12,19H,2-3,10-11,13-15H2,1H3