3,5-bis[[3-(2-cyclohexylethynyl)phenyl]carbamoylamino]benzoic acid

Systemtic Name: 3,5-bis[[3-(2-cyclohexylethynyl)phenyl]carbamoylamino]benzoic acid Openeye Name: 3,5-bis[[3-(2-cyclohexylethynyl)phenyl]carbamoylamino]benzoic acid CAS Name: 3,5-bis[[[3-(2-cyclohexylethynyl)anilino]-oxomethyl]amino]benzoic acid IUPAC Name: 3,5-bis[[3-(2-cyclohexylethynyl)phenyl]carbamoylamino]benzoic acid Traditional Name: 3,5-bis[[3-(2-cyclohexylethynyl)phenyl]carbamoylamino]benzoic acid Formula: C37H38N4O4 MolecularWeight: 602.72202

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C#CC2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=CC(=C4)C#CC5CCCCC5

Isomeric SMILES

C1CCC(CC1)C#CC2=CC(=CC=C2)NC(=O)NC3=CC(=CC(=C3)C(=O)O)NC(=O)NC4=CC=CC(=C4)C#CC5CCCCC5

InChI

InChI=1S/C37H38N4O4/c42-35(43)30-23-33(40-36(44)38-31-15-7-13-28(21-31)19-17-26-9-3-1-4-10-26)25-34(24-30)41-37(45)39-32-16-8-14-29(22-32)20-18-27-11-5-2-6-12-27/h7-8,13-16,21-27H,1-6,9-12H2,(H,42,43)(H2,38,40,44)(H2,39,41,45)