(1S,6R)-6-[(3-iodanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: (1S,6R)-6-[(3-iodanylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: (1S,6R)-6-[(3-iodophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: (1S,6R)-6-[(3-iodoanilino)-oxomethyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: (1S,6R)-6-[(3-iodophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: (1S,6R)-6-[(3-iodophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C14H14INO3 MolecularWeight: 371.17033

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

C1C=CC[C@@H]([C@@H]1C(=O)NC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C14H14INO3/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(18)19/h1-5,8,11-12H,6-7H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1