methyl 1-[[4-(2-phenylethynyl)phenyl]carbonylamino]cyclohexane-1-carboxylate

Systemtic Name: methyl 1-[[4-(2-phenylethynyl)phenyl]carbonylamino]cyclohexane-1-carboxylate Openeye Name: methyl 1-[[4-(2-phenylethynyl)benzoyl]amino]cyclohexanecarboxylate CAS Name: 1-[[oxo-[4-(2-phenylethynyl)phenyl]methyl]amino]-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl 1-[[4-(2-phenylethynyl)benzoyl]amino]cyclohexane-1-carboxylate Traditional Name: 1-[[4-(2-phenylethynyl)benzoyl]amino]cyclohexanecarboxylic acid methyl ester Formula: C23H23NO3 MolecularWeight: 361.43362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1(CCCCC1)NC(=O)C2=CC=C(C=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3/c1-27-22(26)23(16-6-3-7-17-23)24-21(25)20-14-12-19(13-15-20)11-10-18-8-4-2-5-9-18/h2,4-5,8-9,12-15H,3,6-7,16-17H2,1H3,(H,24,25)