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

Systemtic Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Openeye Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one CAS Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-1-butanone IUPAC Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Traditional Name: 1-[1-[(3,5-dimethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]butan-1-one Formula: C24H31NO4 MolecularWeight: 397.50724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31NO4/c1-6-7-24(26)25-9-8-18-13-22(27-4)23(28-5)14-20(18)21(25)15-29-19-11-16(2)10-17(3)12-19/h10-14,21H,6-9,15H2,1-5H3