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

Systemtic Name: 4-[5-(1-adamantyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine Openeye Name: 4-[5-(1-adamantyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine CAS Name: 4-[5-(1-adamantyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]-1-butanamine IUPAC Name: 4-[5-(1-adamantyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butan-1-amine Traditional Name: 4-[5-(1-adamantyl)-2-(3,4,5-trimethoxyphenyl)-1H-indol-3-yl]butylamine Formula: C31H40N2O3 MolecularWeight: 488.6609

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(C3=C(N2)C=CC(=C3)C45CC6CC(C4)CC(C6)C5)CCCCN

InChI

InChI=1S/C31H40N2O3/c1-34-27-13-22(14-28(35-2)30(27)36-3)29-24(6-4-5-9-32)25-15-23(7-8-26(25)33-29)31-16-19-10-20(17-31)12-21(11-19)18-31/h7-8,13-15,19-21,33H,4-6,9-12,16-18,32H2,1-3H3