tert-butyl 3-(1H-indol-3-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate

Systemtic Name: tert-butyl 3-(1H-indol-3-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Openeye Name: tert-butyl 3-(1H-indol-3-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate CAS Name: 3-[(1H-indol-3-ylamino)-oxomethyl]-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(1H-indol-3-ylcarbamoyl)-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate Traditional Name: 3-(1H-indol-3-ylcarbamoyl)-1,3,4,9-tetrahydro-$b-carboline-2-carboxylic acid tert-butyl ester Formula: C25H26N4O3 MolecularWeight: 430.49894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC3=CNC4=CC=CC=C43)C5=CC=CC=C5N2

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=C(CC1C(=O)NC3=CNC4=CC=CC=C43)C5=CC=CC=C5N2

InChI

InChI=1S/C25H26N4O3/c1-25(2,3)32-24(31)29-14-21-17(15-8-4-7-11-19(15)27-21)12-22(29)23(30)28-20-13-26-18-10-6-5-9-16(18)20/h4-11,13,22,26-27H,12,14H2,1-3H3,(H,28,30)