3-[(3-methoxyphenyl)-thiophen-3-yl-methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane

Systemtic Name: 3-[(3-methoxyphenyl)-thiophen-3-yl-methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane Openeye Name: 3-[(3-methoxyphenyl)-(3-thienyl)methylene]-8-phenethyl-8-azabicyclo[3.2.1]octane CAS Name: 3-[(3-methoxyphenyl)-(3-thiophenyl)methylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane IUPAC Name: 3-[(3-methoxyphenyl)-thiophen-3-ylmethylidene]-8-phenethyl-8-azabicyclo[3.2.1]octane Traditional Name: 3-[(3-methoxyphenyl)-(3-thienyl)methylene]-8-phenethyl-8-azabicyclo[3.2.1]octane Formula: C27H29NOS MolecularWeight: 415.59026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CSC=C5

Isomeric SMILES

COC1=CC=CC(=C1)C(=C2CC3CCC(C2)N3CCC4=CC=CC=C4)C5=CSC=C5

InChI

InChI=1S/C27H29NOS/c1-29-26-9-5-8-21(18-26)27(22-13-15-30-19-22)23-16-24-10-11-25(17-23)28(24)14-12-20-6-3-2-4-7-20/h2-9,13,15,18-19,24-25H,10-12,14,16-17H2,1H3