diethyl (1R)-1-ethyl-6-phenylmethoxy-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate

Systemtic Name: diethyl (1R)-1-ethyl-6-phenylmethoxy-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate Openeye Name: diethyl (1R)-6-benzyloxy-1-ethyl-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate CAS Name: (1R)-1-ethyl-6-phenylmethoxy-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl (1R)-1-ethyl-6-phenylmethoxy-1,2,4,9-tetrahydropyrido[3,4-b]indole-3,3-dicarboxylate Traditional Name: (1R)-6-benzoxy-1-ethyl-1,2,4,9-tetrahydro-$b-carboline-3,3-dicarboxylic acid diethyl ester Formula: C26H30N2O5 MolecularWeight: 450.5268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C2=C(CC(N1)(C(=O)OCC)C(=O)OCC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC[C@@H]1C2=C(CC(N1)(C(=O)OCC)C(=O)OCC)C3=C(N2)C=CC(=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H30N2O5/c1-4-21-23-20(15-26(28-21,24(29)31-5-2)25(30)32-6-3)19-14-18(12-13-22(19)27-23)33-16-17-10-8-7-9-11-17/h7-14,21,27-28H,4-6,15-16H2,1-3H3/t21-/m1/s1