methyl 4-[2-iodanylethanoyl-(phenylmethyl)amino]cyclohexene-1-carboxylate

Systemtic Name: methyl 4-[2-iodanylethanoyl-(phenylmethyl)amino]cyclohexene-1-carboxylate Openeye Name: methyl 4-[benzyl-(2-iodoacetyl)amino]cyclohexene-1-carboxylate CAS Name: 4-[(2-iodo-1-oxoethyl)-(phenylmethyl)amino]-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-[benzyl-(2-iodoacetyl)amino]cyclohexene-1-carboxylate Traditional Name: 4-[benzyl-(2-iodoacetyl)amino]cyclohexene-1-carboxylic acid methyl ester Formula: C17H20INO3 MolecularWeight: 413.25007

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CCC(CC1)N(CC2=CC=CC=C2)C(=O)CI

Isomeric SMILES

COC(=O)C1=CCC(CC1)N(CC2=CC=CC=C2)C(=O)CI

InChI

InChI=1S/C17H20INO3/c1-22-17(21)14-7-9-15(10-8-14)19(16(20)11-18)12-13-5-3-2-4-6-13/h2-7,15H,8-12H2,1H3