dimethyl 2-[[1-ethoxycarbonyl-4-(2-phenylethynyl)indol-3-yl]methyl]propanedioate

Systemtic Name: dimethyl 2-[[1-ethoxycarbonyl-4-(2-phenylethynyl)indol-3-yl]methyl]propanedioate Openeye Name: dimethyl 2-[[1-ethoxycarbonyl-4-(2-phenylethynyl)indol-3-yl]methyl]propanedioate CAS Name: 2-[[1-ethoxycarbonyl-4-(2-phenylethynyl)-3-indolyl]methyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[1-ethoxycarbonyl-4-(2-phenylethynyl)indol-3-yl]methyl]propanedioate Traditional Name: 2-[[1-carbethoxy-4-(2-phenylethynyl)indol-3-yl]methyl]malonic acid dimethyl ester Formula: C25H23NO6 MolecularWeight: 433.45322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=C(C=CC=C21)C#CC3=CC=CC=C3)CC(C(=O)OC)C(=O)OC

Isomeric SMILES

CCOC(=O)N1C=C(C2=C(C=CC=C21)C#CC3=CC=CC=C3)CC(C(=O)OC)C(=O)OC

InChI

InChI=1S/C25H23NO6/c1-4-32-25(29)26-16-19(15-20(23(27)30-2)24(28)31-3)22-18(11-8-12-21(22)26)14-13-17-9-6-5-7-10-17/h5-12,16,20H,4,15H2,1-3H3