ethyl 4,6-bis(chloranyl)-3-(2-cyclohexyl-3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)-1H-indole-2-carboxylate

Systemtic Name: ethyl 4,6-bis(chloranyl)-3-(2-cyclohexyl-3-methoxy-1-oxidanyl-3-oxidanylidene-propyl)-1H-indole-2-carboxylate Openeye Name: ethyl 4,6-dichloro-3-(2-cyclohexyl-1-hydroxy-3-methoxy-3-oxo-propyl)-1H-indole-2-carboxylate CAS Name: 4,6-dichloro-3-(2-cyclohexyl-1-hydroxy-3-methoxy-3-oxopropyl)-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4,6-dichloro-3-(2-cyclohexyl-1-hydroxy-3-methoxy-3-oxopropyl)-1H-indole-2-carboxylate Traditional Name: 4,6-dichloro-3-(2-cyclohexyl-1-hydroxy-3-keto-3-methoxy-propyl)-1H-indole-2-carboxylic acid ethyl ester Formula: C21H25Cl2NO5 MolecularWeight: 442.3329

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C(C(C3CCCCC3)C(=O)OC)O

Isomeric SMILES

CCOC(=O)C1=C(C2=C(C=C(C=C2N1)Cl)Cl)C(C(C3CCCCC3)C(=O)OC)O

InChI

InChI=1S/C21H25Cl2NO5/c1-3-29-21(27)18-17(16-13(23)9-12(22)10-14(16)24-18)19(25)15(20(26)28-2)11-7-5-4-6-8-11/h9-11,15,19,24-25H,3-8H2,1-2H3