(1S,2S)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate

Systemtic Name: (1S,2S)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate Openeye Name: (1S,2S)-2-[(4-iodophenyl)carbamoyl]cyclohexanecarboxylate CAS Name: (1S,2S)-2-[(4-iodoanilino)-oxomethyl]-1-cyclohexanecarboxylate IUPAC Name: (1S,2S)-2-[(4-iodophenyl)carbamoyl]cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-[(4-iodophenyl)carbamoyl]cyclohexanecarboxylate Formula: C14H15INO3- MolecularWeight: 372.17827

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC2=CC=C(C=C2)I)C(=O)[O-]

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C(=O)NC2=CC=C(C=C2)I)C(=O)[O-]

InChI

InChI=1S/C14H16INO3/c15-9-5-7-10(8-6-9)16-13(17)11-3-1-2-4-12(11)14(18)19/h5-8,11-12H,1-4H2,(H,16,17)(H,18,19)/p-1/t11-,12-/m0/s1