7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 7-methoxy-1-octyl-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid Formula: C21H30N2O3 MolecularWeight: 358.4745

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C2=C(CC(N1)C(=O)O)C3=C(N2)C=C(C=C3)OC

Isomeric SMILES

CCCCCCCCC1C2=C(CC(N1)C(=O)O)C3=C(N2)C=C(C=C3)OC

InChI

InChI=1S/C21H30N2O3/c1-3-4-5-6-7-8-9-17-20-16(13-19(22-17)21(24)25)15-11-10-14(26-2)12-18(15)23-20/h10-12,17,19,22-23H,3-9,13H2,1-2H3,(H,24,25)