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

Systemtic Name: N-[(2S)-1-[(3-iodanylphenyl)methylamino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]-1-phenyl-cyclopentane-1-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-[(3-iodophenyl)methylamino]-2-oxo-ethyl]-1-phenyl-cyclopentanecarboxamide CAS Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-1-phenyl-1-cyclopentanecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-[(3-iodophenyl)methylamino]-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide Traditional Name: N-[(1S)-2-[(3-iodobenzyl)amino]-2-keto-1-methylol-ethyl]-1-phenyl-cyclopentanecarboxamide Formula: C22H25IN2O3 MolecularWeight: 492.34997

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C2=CC=CC=C2)C(=O)NC(CO)C(=O)NCC3=CC(=CC=C3)I

Isomeric SMILES

C1CCC(C1)(C2=CC=CC=C2)C(=O)N[C@@H](CO)C(=O)NCC3=CC(=CC=C3)I

InChI

InChI=1S/C22H25IN2O3/c23-18-10-6-7-16(13-18)14-24-20(27)19(15-26)25-21(28)22(11-4-5-12-22)17-8-2-1-3-9-17/h1-3,6-10,13,19,26H,4-5,11-12,14-15H2,(H,24,27)(H,25,28)/t19-/m0/s1