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

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(3,5-dimethylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(3,5-dimethylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(3,5-dimethylphenyl)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-[(3,5-dimethylphenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(3,5-dimethylbenzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31NO5/c1-16-11-17(2)13-18(12-16)15-30-20-7-8-21-19(14-20)9-10-26(22(21)23(27)29-6)24(28)31-25(3,4)5/h7-8,11-14,22H,9-10,15H2,1-6H3/t22-/m1/s1