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

Systemtic Name: methyl 4-[[(1S)-2-cyclohexylcarbonyl-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-1-yl]methoxy]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H33NO6 MolecularWeight: 467.55402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)C3CCCCC3)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)C3CCCCC3)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C27H33NO6/c1-31-24-15-20-13-14-28(26(29)18-7-5-4-6-8-18)23(22(20)16-25(24)32-2)17-34-21-11-9-19(10-12-21)27(30)33-3/h9-12,15-16,18,23H,4-8,13-14,17H2,1-3H3/t23-/m1/s1