O2-tert-butyl O1-methyl (1R)-6-[(5-acetamido-2-chloranyl-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(5-acetamido-2-chloranyl-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(5-acetamido-2-chloro-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(5-acetamido-2-chlorophenyl)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-[(5-acetamido-2-chlorophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(5-acetamido-2-chloro-benzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C25H29ClN2O6 MolecularWeight: 488.96056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)Cl)COC2=CC3=C(C=C2)C(N(CC3)C(=O)OC(C)(C)C)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)Cl)COC2=CC3=C(C=C2)[C@@H](N(CC3)C(=O)OC(C)(C)C)C(=O)OC

InChI

InChI=1S/C25H29ClN2O6/c1-15(29)27-18-6-9-21(26)17(12-18)14-33-19-7-8-20-16(13-19)10-11-28(22(20)23(30)32-5)24(31)34-25(2,3)4/h6-9,12-13,22H,10-11,14H2,1-5H3,(H,27,29)/t22-/m1/s1