2-(4-cyclohexa-1,5-dien-1-yloxybutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-cyclohexa-1,5-dien-1-yloxybutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-cyclohexa-1,5-dien-1-yloxybutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline CAS Name: 2-[4-(1-cyclohexa-1,5-dienyloxy)butyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-cyclohexa-1,5-dien-1-yloxybutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-cyclohexa-1,5-dien-1-yloxybutyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline Formula: C21H29NO3 MolecularWeight: 343.45986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)CCCCOC3=CCCC=C3)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)CCCCOC3=CCCC=C3)OC

InChI

InChI=1S/C21H29NO3/c1-23-20-14-17-10-12-22(16-18(17)15-21(20)24-2)11-6-7-13-25-19-8-4-3-5-9-19/h4,8-9,14-15H,3,5-7,10-13,16H2,1-2H3