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

Systemtic Name: ethyl 5-(3-cyano-2-oxidanylidene-propoxy)-1-(4-iodanyl-2-methyl-phenyl)-2-methyl-indole-3-carboxylate Openeye Name: ethyl 5-(3-cyano-2-oxo-propoxy)-1-(4-iodo-2-methyl-phenyl)-2-methyl-indole-3-carboxylate CAS Name: 5-(3-cyano-2-oxopropoxy)-1-(4-iodo-2-methylphenyl)-2-methyl-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-cyano-2-oxopropoxy)-1-(4-iodo-2-methylphenyl)-2-methylindole-3-carboxylate Traditional Name: 5-(3-cyano-2-keto-propoxy)-1-(4-iodo-2-methyl-phenyl)-2-methyl-indole-3-carboxylic acid ethyl ester Formula: C23H21IN2O4 MolecularWeight: 516.32831

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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=C(C=C(C=C3)I)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21IN2O4/c1-4-29-23(28)22-15(3)26(20-7-5-16(24)11-14(20)2)21-8-6-18(12-19(21)22)30-13-17(27)9-10-25/h5-8,11-12H,4,9,13H2,1-3H3