1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone

Systemtic Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone Openeye Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone CAS Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone IUPAC Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxyethanone Traditional Name: 1-[1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-2-phenoxy-ethanone Formula: C28H31NO5 MolecularWeight: 461.54944

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)COC4=CC=CC=C4)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)COC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C28H31NO5/c1-4-20-10-12-23(13-11-20)33-18-25-24-17-27(32-3)26(31-2)16-21(24)14-15-29(25)28(30)19-34-22-8-6-5-7-9-22/h5-13,16-17,25H,4,14-15,18-19H2,1-3H3