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

Systemtic Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodanylphenyl)methanone Openeye Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodophenyl)methanone CAS Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodophenyl)methanone IUPAC Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodophenyl)methanone Traditional Name: [1-[(4-ethylphenoxy)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-(2-iodophenyl)methanone Formula: C27H28INO4 MolecularWeight: 557.41999

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4I)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4=CC=CC=C4I)OC)OC

InChI

InChI=1S/C27H28INO4/c1-4-18-9-11-20(12-10-18)33-17-24-22-16-26(32-3)25(31-2)15-19(22)13-14-29(24)27(30)21-7-5-6-8-23(21)28/h5-12,15-16,24H,4,13-14,17H2,1-3H3