N-(3-chloranyl-4-ethynyl-phenyl)-4-methyl-2-[2-(4-methylphenyl)ethynyl]-2-oxidanyl-4-phenyl-pentanamide

Systemtic Name: N-(3-chloranyl-4-ethynyl-phenyl)-4-methyl-2-[2-(4-methylphenyl)ethynyl]-2-oxidanyl-4-phenyl-pentanamide Openeye Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-4-methyl-4-phenyl-2-[2-(p-tolyl)ethynyl]pentanamide CAS Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-4-methyl-2-[2-(4-methylphenyl)ethynyl]-4-phenylpentanamide IUPAC Name: N-(3-chloro-4-ethynylphenyl)-2-hydroxy-4-methyl-2-[2-(4-methylphenyl)ethynyl]-4-phenylpentanamide Traditional Name: N-(3-chloro-4-ethynyl-phenyl)-2-hydroxy-2-neophyl-4-(p-tolyl)but-3-ynamide Formula: C29H26ClNO2 MolecularWeight: 455.97524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC(CC(C)(C)C2=CC=CC=C2)(C(=O)NC3=CC(=C(C=C3)C#C)Cl)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC(CC(C)(C)C2=CC=CC=C2)(C(=O)NC3=CC(=C(C=C3)C#C)Cl)O

InChI

InChI=1S/C29H26ClNO2/c1-5-23-15-16-25(19-26(23)30)31-27(32)29(33,18-17-22-13-11-21(2)12-14-22)20-28(3,4)24-9-7-6-8-10-24/h1,6-16,19,33H,20H2,2-4H3,(H,31,32)