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

Systemtic Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(3-methylphenyl)methyl]-2,3-bis(oxidanyl)-4-oxidanylidene-butanamide Openeye Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-(m-tolylmethyl)-4-oxo-butanamide CAS Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[(3-methylphenyl)methyl]-4-oxobutanamide IUPAC Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-N-[(3-methylphenyl)methyl]-4-oxobutanamide Traditional Name: 4-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dihydroxy-4-keto-N-(3-methylbenzyl)butyramide Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=O)C(C(C(=O)N2CCC3=CC=CC=C3C2)O)O

Isomeric SMILES

CC1=CC(=CC=C1)CNC(=O)C(C(C(=O)N2CCC3=CC=CC=C3C2)O)O

InChI

InChI=1S/C21H24N2O4/c1-14-5-4-6-15(11-14)12-22-20(26)18(24)19(25)21(27)23-10-9-16-7-2-3-8-17(16)13-23/h2-8,11,18-19,24-25H,9-10,12-13H2,1H3,(H,22,26)