N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-1-benzofuran-2-carboxamide

Systemtic Name: N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-oxidanyl-cyclohexyl]-1-benzofuran-2-carboxamide Openeye Name: N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]benzofuran-2-carboxamide CAS Name: N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-2-benzofurancarboxamide IUPAC Name: N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxycyclohexyl]-1-benzofuran-2-carboxamide Traditional Name: N-[(1R,3R)-3-[2-(3-chlorophenyl)ethynyl]-3-hydroxy-cyclohexyl]coumarilamide Formula: C23H20ClNO3 MolecularWeight: 393.8628

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(C1)(C#CC2=CC(=CC=C2)Cl)O)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1C[C@H](C[C@](C1)(C#CC2=CC(=CC=C2)Cl)O)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C23H20ClNO3/c24-18-7-3-5-16(13-18)10-12-23(27)11-4-8-19(15-23)25-22(26)21-14-17-6-1-2-9-20(17)28-21/h1-3,5-7,9,13-14,19,27H,4,8,11,15H2,(H,25,26)/t19-,23+/m1/s1