O2-tert-butyl O1-methyl (1R)-6-[(4-imidazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(4-imidazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(4-imidazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[[4-(1-imidazolyl)phenyl]methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester IUPAC Name: 2-O-tert-butyl 1-O-methyl (1R)-6-[(4-imidazol-1-ylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(4-imidazol-1-ylbenzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C26H29N3O5 MolecularWeight: 463.52556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(C1C(=O)OC)C=CC(=C2)OCC3=CC=C(C=C3)N4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C([C@@H]1C(=O)OC)C=CC(=C2)OCC3=CC=C(C=C3)N4C=CN=C4

InChI

InChI=1S/C26H29N3O5/c1-26(2,3)34-25(31)29-13-11-19-15-21(9-10-22(19)23(29)24(30)32-4)33-16-18-5-7-20(8-6-18)28-14-12-27-17-28/h5-10,12,14-15,17,23H,11,13,16H2,1-4H3/t23-/m1/s1