ethyl 5-(3-cyano-2-oxidanylidene-propoxy)-1-(4-iodophenyl)-2-methyl-indole-3-carboxylate

Systemtic Name: ethyl 5-(3-cyano-2-oxidanylidene-propoxy)-1-(4-iodophenyl)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-(3-cyano-2-oxo-propoxy)-1-(4-iodophenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-(3-cyano-2-oxopropoxy)-1-(4-iodophenyl)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyano-2-oxopropoxy)-1-(4-iodophenyl)-2-methylindole-3-carboxylate Traditional Name: 5-(3-cyano-2-keto-propoxy)-1-(4-iodophenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C22H19IN2O4 MolecularWeight: 502.30173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)C3=CC=C(C=C3)I)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C=C(C=C2)OCC(=O)CC#N)C3=CC=C(C=C3)I)C

InChI

InChI=1S/C22H19IN2O4/c1-3-28-22(27)21-14(2)25(16-6-4-15(23)5-7-16)20-9-8-18(12-19(20)21)29-13-17(26)10-11-24/h4-9,12H,3,10,13H2,1-2H3