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

Systemtic Name: O2-tert-butyl O1-methyl (1R)-6-[(3-acetamidophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Openeye Name: O2-tert-butyl O1-methyl (1R)-6-[(3-acetamidophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate CAS Name: (1R)-6-[(3-acetamidophenyl)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-acetamidophenyl)methoxy]-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylate Traditional Name: (1R)-6-(3-acetamidobenzyl)oxy-3,4-dihydro-1H-isoquinoline-1,2-dicarboxylic acid O2-tert-butyl ester O1-methyl ester Formula: C25H30N2O6 MolecularWeight: 454.5155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N2O6/c1-16(28)26-19-8-6-7-17(13-19)15-32-20-9-10-21-18(14-20)11-12-27(22(21)23(29)31-5)24(30)33-25(2,3)4/h6-10,13-14,22H,11-12,15H2,1-5H3,(H,26,28)/t22-/m1/s1