4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-iodanylphenyl)methyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanamide

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-iodanylphenyl)methyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[(3-iodophenyl)methyl]-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[(3-iodophenyl)methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[(3-iodophenyl)methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-(3-iodobenzyl)-4-keto-butyramide Formula: C20H21IN2O4 MolecularWeight: 480.29621

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)C(C(C(=O)NCC3=CC(=CC=C3)I)O)O

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)C(C(C(=O)NCC3=CC(=CC=C3)I)O)O

InChI

InChI=1S/C20H21IN2O4/c21-16-7-3-4-13(10-16)11-22-19(26)17(24)18(25)20(27)23-9-8-14-5-1-2-6-15(14)12-23/h1-7,10,17-18,24-25H,8-9,11-12H2,(H,22,26)