ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate

Systemtic Name: ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate Openeye Name: ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate CAS Name: 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(cyanomethyl)-5-[[3-(cyanomethyl)-2-ethoxycarbonyl-1H-indol-5-yl]methyl]-1H-indole-2-carboxylate Traditional Name: 5-[[2-carbethoxy-3-(cyanomethyl)-1H-indol-5-yl]methyl]-3-(cyanomethyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C27H24N4O4 MolecularWeight: 468.50386

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4CC#N)C(=O)OCC)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N1)C=CC(=C2)CC3=CC4=C(C=C3)NC(=C4CC#N)C(=O)OCC)CC#N

InChI

InChI=1S/C27H24N4O4/c1-3-34-26(32)24-18(9-11-28)20-14-16(5-7-22(20)30-24)13-17-6-8-23-21(15-17)19(10-12-29)25(31-23)27(33)35-4-2/h5-8,14-15,30-31H,3-4,9-10,13H2,1-2H3