[2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate

Systemtic Name: [2-[(3-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(1-adamantylcarbonylamino)ethanoate Openeye Name: [2-(3-iodoanilino)-2-oxo-ethyl] 2-(adamantane-1-carbonylamino)acetate CAS Name: 2-[[1-adamantyl(oxo)methyl]amino]acetic acid [2-(3-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-iodoanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate Traditional Name: 2-(adamantane-1-carbonylamino)acetic acid [2-(3-iodoanilino)-2-keto-ethyl] ester Formula: C21H25IN2O4 MolecularWeight: 496.33867

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC(=O)OCC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C21H25IN2O4/c22-16-2-1-3-17(7-16)24-18(25)12-28-19(26)11-23-20(27)21-8-13-4-14(9-21)6-15(5-13)10-21/h1-3,7,13-15H,4-6,8-12H2,(H,23,27)(H,24,25)