ethyl 4-[[(1S)-2-cyclohexylcarbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate

Systemtic Name: ethyl 4-[[(1S)-2-cyclohexylcarbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: ethyl 4-[[(1S)-2-(cyclohexanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate CAS Name: 4-[[(1S)-2-[cyclohexyl(oxo)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(1S)-2-(cyclohexanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Traditional Name: 4-[[(1S)-2-(cyclohexanecarbonyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoic acid ethyl ester Formula: C28H35NO6 MolecularWeight: 481.5806

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC2C3=CC(=C(C=C3CCN2C(=O)C4CCCCC4)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC[C@@H]2C3=CC(=C(C=C3CCN2C(=O)C4CCCCC4)OC)OC

InChI

InChI=1S/C28H35NO6/c1-4-34-28(31)20-10-12-22(13-11-20)35-18-24-23-17-26(33-3)25(32-2)16-21(23)14-15-29(24)27(30)19-8-6-5-7-9-19/h10-13,16-17,19,24H,4-9,14-15,18H2,1-3H3/t24-/m1/s1