3-methyl-2,3,4-tris(oxidanyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-one

Systemtic Name: 3-methyl-2,3,4-tris(oxidanyl)-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-one Openeye Name: 2,3,4-trihydroxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-one CAS Name: 2,3,4-trihydroxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1-butanone IUPAC Name: 2,3,4-trihydroxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-one Traditional Name: 2,3,4-trihydroxy-3-methyl-1-(1,2,3,4-tetrahydroisoquinolin-1-yl)butan-1-one Formula: C14H19NO4 MolecularWeight: 265.30496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(C(C(=O)C1C2=CC=CC=C2CCN1)O)O

Isomeric SMILES

CC(CO)(C(C(=O)C1C2=CC=CC=C2CCN1)O)O

InChI

InChI=1S/C14H19NO4/c1-14(19,8-16)13(18)12(17)11-10-5-3-2-4-9(10)6-7-15-11/h2-5,11,13,15-16,18-19H,6-8H2,1H3