N-(3-chlorophenyl)-7a-(1-iodanylbutyl)-3-propyl-4,5,6,7-tetrahydro-1-benzofuran-2-imine

Systemtic Name: N-(3-chlorophenyl)-7a-(1-iodanylbutyl)-3-propyl-4,5,6,7-tetrahydro-1-benzofuran-2-imine Openeye Name: N-(3-chlorophenyl)-7a-(1-iodobutyl)-3-propyl-4,5,6,7-tetrahydrobenzofuran-2-imine CAS Name: N-(3-chlorophenyl)-7a-(1-iodobutyl)-3-propyl-4,5,6,7-tetrahydrobenzofuran-2-imine IUPAC Name: N-(3-chlorophenyl)-7a-(1-iodobutyl)-3-propyl-4,5,6,7-tetrahydro-1-benzofuran-2-imine Traditional Name: [7a-(1-iodobutyl)-3-propyl-4,5,6,7-tetrahydrobenzofuran-2-ylidene]-(3-chlorophenyl)amine Formula: C21H27ClINO MolecularWeight: 471.80265

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2CCCCC2(OC1=NC3=CC(=CC=C3)Cl)C(CCC)I

Isomeric SMILES

CCCC1=C2CCCCC2(OC1=NC3=CC(=CC=C3)Cl)C(CCC)I

InChI

InChI=1S/C21H27ClINO/c1-3-8-17-18-12-5-6-13-21(18,19(23)9-4-2)25-20(17)24-16-11-7-10-15(22)14-16/h7,10-11,14,19H,3-6,8-9,12-13H2,1-2H3