(1R,2S)-2-[(4-iodanyl-2-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1R,2S)-2-[(4-iodanyl-2-methyl-phenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1R,2S)-2-[(4-iodo-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1R,2S)-2-[(4-iodo-2-methylanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1R,2S)-2-[(4-iodo-2-methylphenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1R,2S)-2-[(4-iodo-2-methyl-phenyl)carbamoyl]cyclohexanecarboxylate Formula: C15H17INO3- MolecularWeight: 386.20485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)C2CCCCC2C(=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-]

InChI

InChI=1S/C15H18INO3/c1-9-8-10(16)6-7-13(9)17-14(18)11-4-2-3-5-12(11)15(19)20/h6-8,11-12H,2-5H2,1H3,(H,17,18)(H,19,20)/p-1/t11-,12+/m0/s1