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1-[2-[4-[(3-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]azepane

1-[2-[4-[(3-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]azepane

Systemtic Name:1-[2-[4-[(3-methoxyphenyl)-thiophen-2-yl-methyl]phenoxy]ethyl]azepane
Openeye Name:1-[2-[4-[(3-methoxyphenyl)-(2-thienyl)methyl]phenoxy]ethyl]azepane
CAS Name:1-[2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
IUPAC Name:1-[2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]azepane
Traditional Name:1-[2-[4-[(3-methoxyphenyl)-(2-thienyl)methyl]phenoxy]ethyl]azepane
Formula: C26H31NO2S
MolecularWeight: 421.59484
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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCCN3CCCCCC3)C4=CC=CS4


Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)OCCN3CCCCCC3)C4=CC=CS4


InChI

InChI=1S/C26H31NO2S/c1-28-24-9-6-8-22(20-24)26(25-10-7-19-30-25)21-11-13-23(14-12-21)29-18-17-27-15-4-2-3-5-16-27/h6-14,19-20,26H,2-5,15-18H2,1H3


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