[2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate

Systemtic Name: [2-[(2-methylcyclohexyl)amino]-2-oxidanylidene-ethyl] 3-iodanylbenzoate Openeye Name: [2-[(2-methylcyclohexyl)amino]-2-oxo-ethyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)amino]-2-oxoethyl] 3-iodobenzoate Traditional Name: 3-iodobenzoic acid [2-keto-2-[(2-methylcyclohexyl)amino]ethyl] ester Formula: C16H20INO3 MolecularWeight: 401.23937

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CC=C2)I

Isomeric SMILES

CC1CCCCC1NC(=O)COC(=O)C2=CC(=CC=C2)I

InChI

InChI=1S/C16H20INO3/c1-11-5-2-3-8-14(11)18-15(19)10-21-16(20)12-6-4-7-13(17)9-12/h4,6-7,9,11,14H,2-3,5,8,10H2,1H3,(H,18,19)