methyl 2-iodanyl-1-(5-phenylpent-4-ynyl)indole-3-carboxylate

Systemtic Name: methyl 2-iodanyl-1-(5-phenylpent-4-ynyl)indole-3-carboxylate Openeye Name: methyl 2-iodo-1-(5-phenylpent-4-ynyl)indole-3-carboxylate CAS Name: 2-iodo-1-(5-phenylpent-4-ynyl)-3-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-iodo-1-(5-phenylpent-4-ynyl)indole-3-carboxylate Traditional Name: 2-iodo-1-(5-phenylpent-4-ynyl)indole-3-carboxylic acid methyl ester Formula: C21H18INO2 MolecularWeight: 443.27759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(C2=CC=CC=C21)CCCC#CC3=CC=CC=C3)I

Isomeric SMILES

COC(=O)C1=C(N(C2=CC=CC=C21)CCCC#CC3=CC=CC=C3)I

InChI

InChI=1S/C21H18INO2/c1-25-21(24)19-17-13-7-8-14-18(17)23(20(19)22)15-9-3-6-12-16-10-4-2-5-11-16/h2,4-5,7-8,10-11,13-14H,3,9,15H2,1H3