3,4-dihydro-1H-isoquinolin-2-yl-[2,3,4-tris(oxidanyl)-5-propan-2-yl-phenyl]methanone

Systemtic Name: 3,4-dihydro-1H-isoquinolin-2-yl-[2,3,4-tris(oxidanyl)-5-propan-2-yl-phenyl]methanone Openeye Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,3,4-trihydroxy-5-isopropyl-phenyl)methanone CAS Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,3,4-trihydroxy-5-propan-2-ylphenyl)methanone IUPAC Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,3,4-trihydroxy-5-propan-2-ylphenyl)methanone Traditional Name: 3,4-dihydro-1H-isoquinolin-2-yl-(2,3,4-trihydroxy-5-isopropyl-phenyl)methanone Formula: C19H21NO4 MolecularWeight: 327.37434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4/c1-11(2)14-9-15(17(22)18(23)16(14)21)19(24)20-8-7-12-5-3-4-6-13(12)10-20/h3-6,9,11,21-23H,7-8,10H2,1-2H3