4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Openeye Name: 4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid CAS Name: 4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid IUPAC Name: 4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]selanyl]ethynyl]benzoic acid Traditional Name: 4-[2-[[5-(4-acetamidophenyl)-8,8-dimethyl-7H-naphthalen-2-yl]seleno]ethynyl]benzoic acid Formula: C29H25NO3Se MolecularWeight: 514.4737

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)[Se]C#CC4=CC=C(C=C4)C(=O)O)(C)C

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CCC(C3=C2C=CC(=C3)[Se]C#CC4=CC=C(C=C4)C(=O)O)(C)C

InChI

InChI=1S/C29H25NO3Se/c1-19(31)30-23-10-8-21(9-11-23)25-14-16-29(2,3)27-18-24(12-13-26(25)27)34-17-15-20-4-6-22(7-5-20)28(32)33/h4-14,18H,16H2,1-3H3,(H,30,31)(H,32,33)