3-ethoxycarbonyl-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid

Systemtic Name: 3-ethoxycarbonyl-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Openeye Name: 3-ethoxycarbonyl-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid CAS Name: 3-ethoxycarbonyl-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid IUPAC Name: 3-ethoxycarbonyl-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid Traditional Name: 3-carbethoxy-4-ethyl-6-octoxy-2,3,4,9-tetrahydro-1H-$b-carboline-1-carboxylic acid Formula: C25H36N2O5 MolecularWeight: 444.56374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC2=C(C=C1)NC3=C2C(C(NC3C(=O)O)C(=O)OCC)CC

Isomeric SMILES

CCCCCCCCOC1=CC2=C(C=C1)NC3=C2C(C(NC3C(=O)O)C(=O)OCC)CC

InChI

InChI=1S/C25H36N2O5/c1-4-7-8-9-10-11-14-32-16-12-13-19-18(15-16)20-17(5-2)21(25(30)31-6-3)27-23(24(28)29)22(20)26-19/h12-13,15,17,21,23,26-27H,4-11,14H2,1-3H3,(H,28,29)