1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-iodoanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-(3-iodoanilino)-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-iodoanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-(3-iodoanilino)-2-keto-ethyl]cycloheptanecarboxylic acid Formula: C16H20INO3 MolecularWeight: 401.23937

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)I)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC(=O)NC2=CC(=CC=C2)I)C(=O)O

InChI

InChI=1S/C16H20INO3/c17-12-6-5-7-13(10-12)18-14(19)11-16(15(20)21)8-3-1-2-4-9-16/h5-7,10H,1-4,8-9,11H2,(H,18,19)(H,20,21)