N-[(1S,3S)-3-[2-(3-methylphenyl)ethynyl]-3-oxidanyl-cyclohexyl]furan-3-carboxamide

Systemtic Name: N-[(1S,3S)-3-[2-(3-methylphenyl)ethynyl]-3-oxidanyl-cyclohexyl]furan-3-carboxamide Openeye Name: N-[(1S,3S)-3-hydroxy-3-[2-(m-tolyl)ethynyl]cyclohexyl]furan-3-carboxamide CAS Name: N-[(1S,3S)-3-hydroxy-3-[2-(3-methylphenyl)ethynyl]cyclohexyl]-3-furancarboxamide IUPAC Name: N-[(1S,3S)-3-hydroxy-3-[2-(3-methylphenyl)ethynyl]cyclohexyl]furan-3-carboxamide Traditional Name: N-[(1S,3S)-3-hydroxy-3-[2-(m-tolyl)ethynyl]cyclohexyl]-3-furamide Formula: C20H21NO3 MolecularWeight: 323.38564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2(CCCC(C2)NC(=O)C3=COC=C3)O

Isomeric SMILES

CC1=CC=CC(=C1)C#C[C@@]2(CCC[C@@H](C2)NC(=O)C3=COC=C3)O

InChI

InChI=1S/C20H21NO3/c1-15-4-2-5-16(12-15)7-10-20(23)9-3-6-18(13-20)21-19(22)17-8-11-24-14-17/h2,4-5,8,11-12,14,18,23H,3,6,9,13H2,1H3,(H,21,22)/t18-,20+/m0/s1