N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2,5-bis(oxidanyl)pent-3-ynamide

Systemtic Name: N-(3-chloranyl-4-ethynyl-phenyl)-2-(2-methyl-2-phenyl-propyl)-2,5-bis(oxidanyl)pent-3-ynamide Openeye Name: N-(3-chloro-4-ethynyl-phenyl)-2,5-dihydroxy-2-(2-methyl-2-phenyl-propyl)pent-3-ynamide CAS Name: N-(3-chloro-4-ethynylphenyl)-2,5-dihydroxy-2-(2-methyl-2-phenylpropyl)-3-pentynamide IUPAC Name: N-(3-chloro-4-ethynylphenyl)-2,5-dihydroxy-2-(2-methyl-2-phenylpropyl)pent-3-ynamide Traditional Name: N-(3-chloro-4-ethynyl-phenyl)-2,5-dihydroxy-2-neophyl-pent-3-ynamide Formula: C23H22ClNO3 MolecularWeight: 395.87868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(C#CCO)(C(=O)NC1=CC(=C(C=C1)C#C)Cl)O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(CC(C#CCO)(C(=O)NC1=CC(=C(C=C1)C#C)Cl)O)C2=CC=CC=C2

InChI

InChI=1S/C23H22ClNO3/c1-4-17-11-12-19(15-20(17)24)25-21(27)23(28,13-8-14-26)16-22(2,3)18-9-6-5-7-10-18/h1,5-7,9-12,15,26,28H,14,16H2,2-3H3,(H,25,27)