2-[3-(4-cyanophenyl)pyrrol-1-yl]-N-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-4-oxidanyl-pentanamide

Systemtic Name: 2-[3-(4-cyanophenyl)pyrrol-1-yl]-N-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-4-oxidanyl-pentanamide Openeye Name: 2-[3-(4-cyanophenyl)pyrrol-1-yl]-4-hydroxy-N-[1-(hydroxymethyl)-2,2-dimethyl-propyl]pentanamide CAS Name: 2-[3-(4-cyanophenyl)-1-pyrrolyl]-4-hydroxy-N-(1-hydroxy-3,3-dimethylbutan-2-yl)pentanamide IUPAC Name: 2-[3-(4-cyanophenyl)pyrrol-1-yl]-4-hydroxy-N-(1-hydroxy-3,3-dimethylbutan-2-yl)pentanamide Traditional Name: 2-[3-(4-cyanophenyl)pyrrol-1-yl]-N-(2,2-dimethyl-1-methylol-propyl)-4-hydroxy-valeramide Formula: C22H29N3O3 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)NC(CO)C(C)(C)C)N1C=CC(=C1)C2=CC=C(C=C2)C#N)O

Isomeric SMILES

CC(CC(C(=O)NC(CO)C(C)(C)C)N1C=CC(=C1)C2=CC=C(C=C2)C#N)O

InChI

InChI=1S/C22H29N3O3/c1-15(27)11-19(21(28)24-20(14-26)22(2,3)4)25-10-9-18(13-25)17-7-5-16(12-23)6-8-17/h5-10,13,15,19-20,26-27H,11,14H2,1-4H3,(H,24,28)