3-(2,2-dimethylpropyl)-6-hexoxy-3,4-dihydro-2H-isoquinolin-1-one

Systemtic Name: 3-(2,2-dimethylpropyl)-6-hexoxy-3,4-dihydro-2H-isoquinolin-1-one Openeye Name: 3-(2,2-dimethylpropyl)-6-hexoxy-3,4-dihydro-2H-isoquinolin-1-one CAS Name: 3-(2,2-dimethylpropyl)-6-hexoxy-3,4-dihydro-2H-isoquinolin-1-one IUPAC Name: 3-(2,2-dimethylpropyl)-6-hexoxy-3,4-dihydro-2H-isoquinolin-1-one Traditional Name: 6-hexoxy-3-neopentyl-3,4-dihydroisocarbostyril Formula: C20H31NO2 MolecularWeight: 317.46564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC2=C(C=C1)C(=O)NC(C2)CC(C)(C)C

Isomeric SMILES

CCCCCCOC1=CC2=C(C=C1)C(=O)NC(C2)CC(C)(C)C

InChI

InChI=1S/C20H31NO2/c1-5-6-7-8-11-23-17-9-10-18-15(13-17)12-16(21-19(18)22)14-20(2,3)4/h9-10,13,16H,5-8,11-12,14H2,1-4H3,(H,21,22)