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

Systemtic Name: N-(3,3-dimethyl-1-oxidanyl-butan-2-yl)-2-[3-[4-(4-ethynylphenyl)phenyl]pyrrol-1-yl]-4-oxidanylidene-pentanamide Openeye Name: 2-[3-[4-(4-ethynylphenyl)phenyl]pyrrol-1-yl]-N-[1-(hydroxymethyl)-2,2-dimethyl-propyl]-4-oxo-pentanamide CAS Name: 2-[3-[4-(4-ethynylphenyl)phenyl]-1-pyrrolyl]-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxopentanamide IUPAC Name: 2-[3-[4-(4-ethynylphenyl)phenyl]pyrrol-1-yl]-N-(1-hydroxy-3,3-dimethylbutan-2-yl)-4-oxopentanamide Traditional Name: N-(2,2-dimethyl-1-methylol-propyl)-2-[3-[4-(4-ethynylphenyl)phenyl]pyrrol-1-yl]-4-keto-valeramide Formula: C29H32N2O3 MolecularWeight: 456.57598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C(=O)NC(CO)C(C)(C)C)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#C

Isomeric SMILES

CC(=O)CC(C(=O)NC(CO)C(C)(C)C)N1C=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#C

InChI

InChI=1S/C29H32N2O3/c1-6-21-7-9-22(10-8-21)23-11-13-24(14-12-23)25-15-16-31(18-25)26(17-20(2)33)28(34)30-27(19-32)29(3,4)5/h1,7-16,18,26-27,32H,17,19H2,2-5H3,(H,30,34)