dimethyl 2-(4-bromanyl-1-methoxycarbonyl-5-phenylmethoxy-indol-3-yl)propanedioate

Systemtic Name: dimethyl 2-(4-bromanyl-1-methoxycarbonyl-5-phenylmethoxy-indol-3-yl)propanedioate Openeye Name: dimethyl 2-(5-benzyloxy-4-bromo-1-methoxycarbonyl-indol-3-yl)propanedioate CAS Name: 2-(4-bromo-1-methoxycarbonyl-5-phenylmethoxy-3-indolyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(4-bromo-1-methoxycarbonyl-5-phenylmethoxyindol-3-yl)propanedioate Traditional Name: 2-(5-benzoxy-4-bromo-1-carbomethoxy-indol-3-yl)malonic acid dimethyl ester Formula: C22H20BrNO7 MolecularWeight: 490.3007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CN(C2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

COC(=O)C(C1=CN(C2=C1C(=C(C=C2)OCC3=CC=CC=C3)Br)C(=O)OC)C(=O)OC

InChI

InChI=1S/C22H20BrNO7/c1-28-20(25)18(21(26)29-2)14-11-24(22(27)30-3)15-9-10-16(19(23)17(14)15)31-12-13-7-5-4-6-8-13/h4-11,18H,12H2,1-3H3