[2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate

Systemtic Name: [2-(1-adamantylamino)-2-oxidanylidene-ethyl] 4-iodanylbenzoate Openeye Name: [2-(1-adamantylamino)-2-oxo-ethyl] 4-iodobenzoate CAS Name: 4-iodobenzoic acid [2-(1-adamantylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylamino)-2-oxoethyl] 4-iodobenzoate Traditional Name: 4-iodobenzoic acid [2-(1-adamantylamino)-2-keto-ethyl] ester Formula: C19H22INO3 MolecularWeight: 439.28735

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)COC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C19H22INO3/c20-16-3-1-15(2-4-16)18(23)24-11-17(22)21-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,12-14H,5-11H2,(H,21,22)