methyl 2-bromanyl-3-cyclohexyl-1-(3-ethoxy-3-oxidanylidene-propyl)indole-6-carboxylate

Systemtic Name: methyl 2-bromanyl-3-cyclohexyl-1-(3-ethoxy-3-oxidanylidene-propyl)indole-6-carboxylate Openeye Name: methyl 2-bromo-3-cyclohexyl-1-(3-ethoxy-3-oxo-propyl)indole-6-carboxylate CAS Name: 2-bromo-3-cyclohexyl-1-(3-ethoxy-3-oxopropyl)-6-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-bromo-3-cyclohexyl-1-(3-ethoxy-3-oxopropyl)indole-6-carboxylate Traditional Name: 2-bromo-3-cyclohexyl-1-(3-ethoxy-3-keto-propyl)indole-6-carboxylic acid methyl ester Formula: C21H26BrNO4 MolecularWeight: 436.33944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)OC)C(=C1Br)C3CCCCC3

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=CC(=C2)C(=O)OC)C(=C1Br)C3CCCCC3

InChI

InChI=1S/C21H26BrNO4/c1-3-27-18(24)11-12-23-17-13-15(21(25)26-2)9-10-16(17)19(20(23)22)14-7-5-4-6-8-14/h9-10,13-14H,3-8,11-12H2,1-2H3