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

Systemtic Name: 4-[5-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-indol-3-yl]butylamine Formula: C30H36N2O2 MolecularWeight: 456.61904

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)C3=C(C4=C(N3)C=CC(=C4)C56CC7CC(C5)CC(C7)C6)CCCCN

InChI

InChI=1S/C30H36N2O2/c31-8-2-1-3-24-25-15-23(30-16-19-11-20(17-30)13-21(12-19)18-30)5-6-26(25)32-29(24)22-4-7-27-28(14-22)34-10-9-33-27/h4-7,14-15,19-21,32H,1-3,8-13,16-18,31H2