4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodanyl-1H-indol-3-yl]butan-1-amine

Systemtic Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodanyl-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1H-indol-3-yl]butan-1-amine CAS Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-iodo-1H-indol-3-yl]butylamine Formula: C20H21IN2O2 MolecularWeight: 448.29741

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)I)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)I)CCCCN

InChI

InChI=1S/C20H21IN2O2/c21-14-5-6-17-16(12-14)15(3-1-2-8-22)20(23-17)13-4-7-18-19(11-13)25-10-9-24-18/h4-7,11-12,23H,1-3,8-10,22H2