N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopropane-1-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-1-phenyl-cyclopropanecarboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-1-phenyl-1-cyclopropanecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-1-phenylcyclopropane-1-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-1-phenyl-cyclopropanecarboxamide Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1(C2=CC=CC=C2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1CC1(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C20H21IN2O3/c21-16-8-4-5-14(11-16)12-22-18(25)17(13-24)23-19(26)20(9-10-20)15-6-2-1-3-7-15/h1-8,11,17,24H,9-10,12-13H2,(H,22,25)(H,23,26)/t17-/m0/s1