9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid

Systemtic Name: 9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid Openeye Name: 9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid CAS Name: 9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid IUPAC Name: 9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-pyrido[3,4-b]indole-3-carboxylic acid Traditional Name: 9-butyl-2-ethyl-1-(3,4,5-trimethoxyphenyl)-4b,8a-dihydro-4aH-$b-carboline-3-carboxylic acid Formula: C27H34N2O5 MolecularWeight: 466.56926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2C=CC=CC2C3C1=C(N(C(=C3)C(=O)O)CC)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCCCN1C2C=CC=CC2C3C1=C(N(C(=C3)C(=O)O)CC)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C27H34N2O5/c1-6-8-13-29-20-12-10-9-11-18(20)19-16-21(27(30)31)28(7-2)24(25(19)29)17-14-22(32-3)26(34-5)23(15-17)33-4/h9-12,14-16,18-20H,6-8,13H2,1-5H3,(H,30,31)