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3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane

3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane

Systemtic Name:3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane
Openeye Name:3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane
CAS Name:3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane
IUPAC Name:3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane
Traditional Name:3-(chloromethyl)-1-[3-(3,4-dimethoxyphenoxy)propyl]azepane
Formula: C18H28ClNO3
MolecularWeight: 341.87282
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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)OCCCN2CCCCC(C2)CCl)OC


Isomeric SMILES

COC1=C(C=C(C=C1)OCCCN2CCCCC(C2)CCl)OC


InChI

InChI=1S/C18H28ClNO3/c1-21-17-8-7-16(12-18(17)22-2)23-11-5-10-20-9-4-3-6-15(13-19)14-20/h7-8,12,15H,3-6,9-11,13-14H2,1-2H3


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