N-[3-ethanoyl-5-iodanyl-4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide

Systemtic Name: N-[3-ethanoyl-5-iodanyl-4-[(2S)-2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]butanamide Openeye Name: N-[3-acetyl-4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]-5-iodo-phenyl]butanamide CAS Name: N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-5-iodophenyl]butanamide IUPAC Name: N-[3-acetyl-4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]-5-iodophenyl]butanamide Traditional Name: N-[3-acetyl-4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]-5-iodo-phenyl]butyramide Formula: C18H27IN2O4 MolecularWeight: 462.32245

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=C(C(=C1)C(=O)C)OCC(CNC(C)C)O)I

Isomeric SMILES

CCCC(=O)NC1=CC(=C(C(=C1)C(=O)C)OC[C@H](CNC(C)C)O)I

InChI

InChI=1S/C18H27IN2O4/c1-5-6-17(24)21-13-7-15(12(4)22)18(16(19)8-13)25-10-14(23)9-20-11(2)3/h7-8,11,14,20,23H,5-6,9-10H2,1-4H3,(H,21,24)/t14-/m0/s1