methyl 4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]naphthalene-1-carboxylate

Systemtic Name: methyl 4-[(2-butyl-4-iodanyl-5-methanoyl-imidazol-1-yl)methyl]naphthalene-1-carboxylate Openeye Name: methyl 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]naphthalene-1-carboxylate CAS Name: 4-[(2-butyl-5-formyl-4-iodo-1-imidazolyl)methyl]-1-naphthalenecarboxylic acid methyl ester IUPAC Name: methyl 4-[(2-butyl-5-formyl-4-iodoimidazol-1-yl)methyl]naphthalene-1-carboxylate Traditional Name: 4-[(2-butyl-5-formyl-4-iodo-imidazol-1-yl)methyl]naphthalene-1-carboxylic acid methyl ester Formula: C21H21IN2O3 MolecularWeight: 476.30751

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)OC)C=O)I

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C3=CC=CC=C23)C(=O)OC)C=O)I

InChI

InChI=1S/C21H21IN2O3/c1-3-4-9-19-23-20(22)18(13-25)24(19)12-14-10-11-17(21(26)27-2)16-8-6-5-7-15(14)16/h5-8,10-11,13H,3-4,9,12H2,1-2H3