2-butyl-4-(hydroxymethyl)-7-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: 2-butyl-4-(hydroxymethyl)-7-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Openeye Name: 2-butyl-4-(hydroxymethyl)-7-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione CAS Name: 2-butyl-4-(hydroxymethyl)-7-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione IUPAC Name: 2-butyl-4-(hydroxymethyl)-7-methyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione Traditional Name: 2-butyl-4-methyl-7-methylol-3a,4,7,7a-tetrahydroisoindole-1,3-quinone Formula: C14H21NO3 MolecularWeight: 251.32144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2C(C=CC(C2C1=O)CO)C

Isomeric SMILES

CCCCN1C(=O)C2C(C=CC(C2C1=O)CO)C

InChI

InChI=1S/C14H21NO3/c1-3-4-7-15-13(17)11-9(2)5-6-10(8-16)12(11)14(15)18/h5-6,9-12,16H,3-4,7-8H2,1-2H3