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

Systemtic Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloranylethanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 1-(1,3-benzodioxol-5-yl)-2-(2-chloro-1-oxoethyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-yl)-2-(2-chloroacetyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H18ClNO5 MolecularWeight: 387.81362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C(N1C(=O)CCl)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C(N1C(=O)CCl)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18ClNO5/c1-25-20(24)15-8-12-4-2-3-5-14(12)19(22(15)18(23)10-21)13-6-7-16-17(9-13)27-11-26-16/h2-7,9,15,19H,8,10-11H2,1H3