9-butyl-7-decoxy-1-methyl-pyrido[3,4-b]indole

Systemtic Name: 9-butyl-7-decoxy-1-methyl-pyrido[3,4-b]indole Openeye Name: 9-butyl-7-decoxy-1-methyl-pyrido[3,4-b]indole CAS Name: 9-butyl-7-decoxy-1-methylpyrido[3,4-b]indole IUPAC Name: 9-butyl-7-decoxy-1-methylpyrido[3,4-b]indole Traditional Name: 9-butyl-7-decoxy-1-methyl-$b-carboline Formula: C26H38N2O MolecularWeight: 394.59272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC2=C(C=C1)C3=C(N2CCCC)C(=NC=C3)C

Isomeric SMILES

CCCCCCCCCCOC1=CC2=C(C=C1)C3=C(N2CCCC)C(=NC=C3)C

InChI

InChI=1S/C26H38N2O/c1-4-6-8-9-10-11-12-13-19-29-22-14-15-23-24-16-17-27-21(3)26(24)28(18-7-5-2)25(23)20-22/h14-17,20H,4-13,18-19H2,1-3H3