ethyl 6-bromanyl-1-methyl-2-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-1-methyl-2-[(2-methylimidazol-1-yl)methyl]-5-oxidanyl-indole-3-carboxylate Openeye Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate CAS Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methyl-1-imidazolyl)methyl]-3-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylate Traditional Name: 6-bromo-5-hydroxy-1-methyl-2-[(2-methylimidazol-1-yl)methyl]indole-3-carboxylic acid ethyl ester Formula: C17H18BrN3O3 MolecularWeight: 392.24712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3C=CN=C3C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CN3C=CN=C3C

InChI

InChI=1S/C17H18BrN3O3/c1-4-24-17(23)16-11-7-15(22)12(18)8-13(11)20(3)14(16)9-21-6-5-19-10(21)2/h5-8,22H,4,9H2,1-3H3