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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CCC3CCCC3)COC4=CC=C(C=C4)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=O)CCC3CCCC3)COC4=CC=C(C=C4)C(=O)OC)OC

InChI

InChI=1S/C28H35NO6/c1-32-25-16-21-14-15-29(27(30)13-8-19-6-4-5-7-19)24(23(21)17-26(25)33-2)18-35-22-11-9-20(10-12-22)28(31)34-3/h9-12,16-17,19,24H,4-8,13-15,18H2,1-3H3/t24-/m1/s1