2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-N-(3-phenylpropyl)propanamide

Systemtic Name: 2-cyano-3-(3-iodanyl-5-methoxy-4-oxidanyl-phenyl)-N-(3-phenylpropyl)propanamide Openeye Name: 2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-N-(3-phenylpropyl)propanamide CAS Name: 2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-N-(3-phenylpropyl)propanamide IUPAC Name: 2-cyano-3-(4-hydroxy-3-iodo-5-methoxyphenyl)-N-(3-phenylpropyl)propanamide Traditional Name: 2-cyano-3-(4-hydroxy-3-iodo-5-methoxy-phenyl)-N-(3-phenylpropyl)propionamide Formula: C20H21IN2O3 MolecularWeight: 464.29681

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CC(C#N)C(=O)NCCCC2=CC=CC=C2)I)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CC(C#N)C(=O)NCCCC2=CC=CC=C2)I)O

InChI

InChI=1S/C20H21IN2O3/c1-26-18-12-15(11-17(21)19(18)24)10-16(13-22)20(25)23-9-5-8-14-6-3-2-4-7-14/h2-4,6-7,11-12,16,24H,5,8-10H2,1H3,(H,23,25)