3-[3-(4-azanylbutyl)-5-phenylmethoxy-1H-indol-2-yl]-N,N-dimethyl-aniline

Systemtic Name: 3-[3-(4-azanylbutyl)-5-phenylmethoxy-1H-indol-2-yl]-N,N-dimethyl-aniline Openeye Name: 3-[3-(4-aminobutyl)-5-benzyloxy-1H-indol-2-yl]-N,N-dimethyl-aniline CAS Name: 3-[3-(4-aminobutyl)-5-phenylmethoxy-1H-indol-2-yl]-N,N-dimethylaniline IUPAC Name: 3-[3-(4-aminobutyl)-5-phenylmethoxy-1H-indol-2-yl]-N,N-dimethylaniline Traditional Name: [3-[3-(4-aminobutyl)-5-benzoxy-1H-indol-2-yl]phenyl]-dimethyl-amine Formula: C27H31N3O MolecularWeight: 413.55454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)CCCCN

Isomeric SMILES

CN(C)C1=CC=CC(=C1)C2=C(C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4)CCCCN

InChI

InChI=1S/C27H31N3O/c1-30(2)22-12-8-11-21(17-22)27-24(13-6-7-16-28)25-18-23(14-15-26(25)29-27)31-19-20-9-4-3-5-10-20/h3-5,8-12,14-15,17-18,29H,6-7,13,16,19,28H2,1-2H3