5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline

Systemtic Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline Openeye Name: 5-(1,1-dimethylpentyl)-[1,3]dioxolo[4,5-g]isoquinoline CAS Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline IUPAC Name: 5-(2-methylhexan-2-yl)-[1,3]dioxolo[4,5-g]isoquinoline Traditional Name: 5-(1,1-dimethylpentyl)-[1,3]dioxol[4,5-g]isoquinoline Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(C)C1=NC=CC2=CC3=C(C=C21)OCO3

Isomeric SMILES

CCCCC(C)(C)C1=NC=CC2=CC3=C(C=C21)OCO3

InChI

InChI=1S/C17H21NO2/c1-4-5-7-17(2,3)16-13-10-15-14(19-11-20-15)9-12(13)6-8-18-16/h6,8-10H,4-5,7,11H2,1-3H3