2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-1,3-dihydroindene-2-carboxylic acid

Systemtic Name: 2-[[4-chloranyl-3-(2-phenylethynyl)phenyl]carbonylamino]-1,3-dihydroindene-2-carboxylic acid Openeye Name: 2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]indane-2-carboxylic acid CAS Name: 2-[[[4-chloro-3-(2-phenylethynyl)phenyl]-oxomethyl]amino]-1,3-dihydroindene-2-carboxylic acid IUPAC Name: 2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]-1,3-dihydroindene-2-carboxylic acid Traditional Name: 2-[[4-chloro-3-(2-phenylethynyl)benzoyl]amino]indane-2-carboxylic acid Formula: C25H18ClNO3 MolecularWeight: 415.86832

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC(=C(C=C3)Cl)C#CC4=CC=CC=C4

Isomeric SMILES

C1C2=CC=CC=C2CC1(C(=O)O)NC(=O)C3=CC(=C(C=C3)Cl)C#CC4=CC=CC=C4

InChI

InChI=1S/C25H18ClNO3/c26-22-13-12-19(14-18(22)11-10-17-6-2-1-3-7-17)23(28)27-25(24(29)30)15-20-8-4-5-9-21(20)16-25/h1-9,12-14H,15-16H2,(H,27,28)(H,29,30)