methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloranylethanoyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-chloro-1-oxoethyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C22H22ClNO7 MolecularWeight: 447.86558

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(C(CC2=C1)C(=O)OC)C(=O)CCl)C3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(N(C(CC2=C1)C(=O)OC)C(=O)CCl)C3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C22H22ClNO7/c1-27-17-8-13-6-15(22(26)29-3)24(20(25)10-23)21(14(13)9-18(17)28-2)12-4-5-16-19(7-12)31-11-30-16/h4-5,7-9,15,21H,6,10-11H2,1-3H3