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

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(4-fluoranyl-3-methyl-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(4-fluoro-3-methyl-phenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(4-fluoro-3-methylphenyl)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-fluoro-3-methylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(4-fluoro-3-methyl-benzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C24H28FNO5 MolecularWeight: 429.481223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)COC2=CC3=C(C=C2)C(N(CC3)C(=O)OC(C)(C)C)C(=O)OC)F

Isomeric SMILES

CC1=C(C=CC(=C1)COC2=CC3=C(C=C2)[C@@H](N(CC3)C(=O)OC(C)(C)C)C(=O)OC)F

InChI

InChI=1S/C24H28FNO5/c1-15-12-16(6-9-20(15)25)14-30-18-7-8-19-17(13-18)10-11-26(21(19)22(27)29-5)23(28)31-24(2,3)4/h6-9,12-13,21H,10-11,14H2,1-5H3/t21-/m1/s1