ethyl 1-butyl-2-(cyclohexen-1-yl)-3-iodanyl-indole-5-carboxylate

Systemtic Name: ethyl 1-butyl-2-(cyclohexen-1-yl)-3-iodanyl-indole-5-carboxylate Openeye Name: ethyl 1-butyl-2-(cyclohexen-1-yl)-3-iodo-indole-5-carboxylate CAS Name: 1-butyl-2-(1-cyclohexenyl)-3-iodo-5-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-butyl-2-(cyclohexen-1-yl)-3-iodoindole-5-carboxylate Traditional Name: 1-butyl-2-(cyclohexen-1-yl)-3-iodo-indole-5-carboxylic acid ethyl ester Formula: C21H26INO2 MolecularWeight: 451.34111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)C(=O)OCC)C(=C1C3=CCCCC3)I

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)C(=O)OCC)C(=C1C3=CCCCC3)I

InChI

InChI=1S/C21H26INO2/c1-3-5-13-23-18-12-11-16(21(24)25-4-2)14-17(18)19(22)20(23)15-9-7-6-8-10-15/h9,11-12,14H,3-8,10,13H2,1-2H3