tert-butyl 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]indole-1-carboxylate

Systemtic Name: tert-butyl 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]indole-1-carboxylate Openeye Name: tert-butyl 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]indole-1-carboxylate CAS Name: 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]indole-1-carboxylate Traditional Name: 3-[(1S)-1,2,3,4-tetrahydroisoquinolin-1-yl]indole-1-carboxylic acid tert-butyl ester Formula: C22H24N2O2 MolecularWeight: 348.43816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)C3C4=CC=CC=C4CCN3

Isomeric SMILES

CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)[C@@H]3C4=CC=CC=C4CCN3

InChI

InChI=1S/C22H24N2O2/c1-22(2,3)26-21(25)24-14-18(17-10-6-7-11-19(17)24)20-16-9-5-4-8-15(16)12-13-23-20/h4-11,14,20,23H,12-13H2,1-3H3/t20-/m0/s1