2-[[4-(2-phenylethynyl)-2-(3-phenylpropylamino)phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[4-(2-phenylethynyl)-2-(3-phenylpropylamino)phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[4-(2-phenylethynyl)-2-(3-phenylpropylamino)benzoyl]amino]benzoic acid CAS Name: 2-[[oxo-[4-(2-phenylethynyl)-2-(3-phenylpropylamino)phenyl]methyl]amino]benzoic acid IUPAC Name: 2-[[4-(2-phenylethynyl)-2-(3-phenylpropylamino)benzoyl]amino]benzoic acid Traditional Name: 2-[[4-(2-phenylethynyl)-2-(3-phenylpropylamino)benzoyl]amino]benzoic acid Formula: C31H26N2O3 MolecularWeight: 474.54974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)C#CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(C=CC(=C2)C#CC3=CC=CC=C3)C(=O)NC4=CC=CC=C4C(=O)O

InChI

InChI=1S/C31H26N2O3/c34-30(33-28-16-8-7-15-27(28)31(35)36)26-20-19-25(18-17-24-12-5-2-6-13-24)22-29(26)32-21-9-14-23-10-3-1-4-11-23/h1-8,10-13,15-16,19-20,22,32H,9,14,21H2,(H,33,34)(H,35,36)