O2-tert-butyl O8-methyl 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylate

Systemtic Name: O2-tert-butyl O8-methyl 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylate Openeye Name: O2-tert-butyl O8-methyl 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylate CAS Name: 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylic acid O2-tert-butyl ester O8-methyl ester IUPAC Name: 2-O-tert-butyl 8-O-methyl 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylate Traditional Name: 5-phenyl-3,4,6,8a-tetrahydro-1H-isoquinoline-2,8-dicarboxylic acid O2-tert-butyl ester O8-methyl ester Formula: C22H27NO4 MolecularWeight: 369.45408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC2=C(CC=C(C2C1)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC2=C(CC=C(C2C1)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C22H27NO4/c1-22(2,3)27-21(25)23-13-12-17-16(15-8-6-5-7-9-15)10-11-18(19(17)14-23)20(24)26-4/h5-9,11,19H,10,12-14H2,1-4H3