methyl 1-(4-tert-butylphenyl)carbonyl-3-iodanyl-indole-2-carboxylate

Systemtic Name: methyl 1-(4-tert-butylphenyl)carbonyl-3-iodanyl-indole-2-carboxylate Openeye Name: methyl 1-(4-tert-butylbenzoyl)-3-iodo-indole-2-carboxylate CAS Name: 1-[(4-tert-butylphenyl)-oxomethyl]-3-iodo-2-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-tert-butylbenzoyl)-3-iodoindole-2-carboxylate Traditional Name: 1-(4-tert-butylbenzoyl)-3-iodo-indole-2-carboxylic acid methyl ester Formula: C21H20INO3 MolecularWeight: 461.29287

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2C(=O)OC)I

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)N2C3=CC=CC=C3C(=C2C(=O)OC)I

InChI

InChI=1S/C21H20INO3/c1-21(2,3)14-11-9-13(10-12-14)19(24)23-16-8-6-5-7-15(16)17(22)18(23)20(25)26-4/h5-12H,1-4H3