1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one

Systemtic Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Openeye Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one CAS Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-pentanone IUPAC Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Traditional Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one Formula: C25H33NO4 MolecularWeight: 411.53382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC

Isomeric SMILES

CCCCC(=O)N1CCC2=CC(=C(C=C2C1COC3=CC(=CC(=C3)C)C)OC)OC

InChI

InChI=1S/C25H33NO4/c1-6-7-8-25(27)26-10-9-19-14-23(28-4)24(29-5)15-21(19)22(26)16-30-20-12-17(2)11-18(3)13-20/h11-15,22H,6-10,16H2,1-5H3