O3-methyl O2-(phenylmethyl) (3S)-6,8-bis(iodanyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate

Systemtic Name: O3-methyl O2-(phenylmethyl) (3S)-6,8-bis(iodanyl)-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Openeye Name: O2-benzyl O3-methyl (3S)-6,8-diiodo-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate CAS Name: (3S)-6,8-diiodo-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O3-methyl ester O2-(phenylmethyl) ester IUPAC Name: 2-O-benzyl 3-O-methyl (3S)-6,8-diiodo-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate Traditional Name: (3S)-6,8-diiodo-7-methoxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylic acid O2-benzyl ester O3-methyl ester Formula: C20H19I2NO5 MolecularWeight: 607.1775

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CC(N(CC2=C1I)C(=O)OCC3=CC=CC=C3)C(=O)OC)I

Isomeric SMILES

COC1=C(C=C2C[C@H](N(CC2=C1I)C(=O)OCC3=CC=CC=C3)C(=O)OC)I

InChI

InChI=1S/C20H19I2NO5/c1-26-18-15(21)8-13-9-16(19(24)27-2)23(10-14(13)17(18)22)20(25)28-11-12-6-4-3-5-7-12/h3-8,16H,9-11H2,1-2H3/t16-/m0/s1